SCHEMBL4386260

SCHEMBL4386260

CCOC(=O)Oc1sc(-c2ccnc(Nc3ccc(Cl)cc3)n2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.51
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
ZAP70 P43403 3/20 0.44
SYK P43405 3/20 0.44
SRC P12931 1/20 0.44
CDK4 P11802 5/20 0.43
CDK9 P50750 4/20 0.43
AURKA O14965 2/20 0.43
CDK1 P06493 2/20 0.43
CDK7 P50613 2/20 0.43
AURKB Q96GD4 2/20 0.43
CCNT1 O60563 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
PLK1 P53350 4/20 0.41
CCNA2 P20248 1/20 0.41
ALK Q9UM73 1/20 0.41
AKT1 P31749 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4389830 0.91 CDK2 (0.47) CDK2PIK3CAPIK3CBPIK3CGZAP70
SCHEMBL4387241 0.84 LMNA (0.55) CDK2PIK3CAPIK3CBPIK3CGZAP70
SCHEMBL4395196 0.81 CDC7 (0.41) CDK2PIK3CGZAP70SYKSRC
SCHEMBL4387753 0.79 CDC7 (0.62) CDK2PIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL4389627 0.78 CDK2 (0.58) CDK2PIK3CAPIK3CBPIK3CGZAP70
SCHEMBL4385796 0.78 CDK2 (0.58) CDK2PIK3CAPIK3CBPIK3CGZAP70
SCHEMBL27657614 0.76 CDK2 (0.55) CDK2PIK3CAPIK3CBPIK3CGZAP70
SCHEMBL5310238 0.74 CDK2 (0.56) CDK2PIK3CAPIK3CBPIK3CGZAP70
SCHEMBL14378895 0.73 CDK2 (0.70) CDK2PIK3CAPIK3CBPIK3CGZAP70
SCHEMBL27657616 0.71 CDK2 (0.55) CDK2PIK3CAPIK3CBPIK3CGZAP70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751146-B1 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LTD (GB) 2009-12-02 EP claimed