To select a target different parameters must be taken into consideration
First, according to types what type of your compounds belong to type I, type 1.5 or type II or type III, or type IV because all type has pharmacophore features if determine the type you can know the cancer-specific for and determine the suitable enzyme and select the best ligand, and then you can select the best PDB
Second from the structure of your compound prepared and what functional groups you added polar or non-polar and so on
So to design type I kinase inhibitors
There are common pharmacophore features for type I inhibitors according to the Traxler pharmacophore model.
1-Heterocyclic ring system
Heterocyclic ring system core that occupies the purine binding site which maintains on hydrogen bond interaction and shares at least one or two hydrogen bond donors or acceptors. 2-Head Hydrophilic substituents extend in the solvent-exposed area.
3-Tail Aryl ring occupies the hydrophobic pocket.
To design type II inhibitors
Type IIA kinase inhibitors are designed around four key pharmacophoric features,
1. Hinge Region: This region contains a flat heteroaromatic moiety that
interacts with the residues Glu917 and/or Cys919, which is crucial for
binding.
2. Linker Region: A properly sized linker is needed between the ATP-binding
domain and the DFG domain to ensure a good fit.
3. DFG Domain: The residues Glu885 and Asp1046 are essential for forming
hydrogen bonds, playing a key role in the inhibitor's activity.
4. Allosteric Region: There are hydrophobic interactions between the terminal hydrophobic group and the allosteric region of the inactive receptor, which strengthens the binding.
so you can draw your structure we can assist you in determining the target and the cancer cell related to an sha allah