SCHEMBL4385796

SCHEMBL4385796

Cc1nc(-c2ccnc(Nc3ccc(Cl)cc3)n2)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.58
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
XDH P47989 1/20 0.54
ZAP70 P43403 3/20 0.52
SYK P43405 3/20 0.52
KMT2A Q03164 2/20 0.51
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
MAPT P10636 1/20 0.47
CDK4 P11802 4/20 0.47
AURKA O14965 1/20 0.47
CDK1 P06493 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL4389627 0.91 CDK2 (0.58) CDK2RAB9AZAP70SYKKMT2A
SCHEMBL4391861 0.87 CDK2 (0.50) CDK2SYKPIK3CAPIK3CBPIK3CG
SCHEMBL4387241 0.86 LMNA (0.55) CDK2KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL14216141 0.85 SYK (0.70) CDK2KDM4ESMN1; SMN2RAB9AZAP70
SCHEMBL27657614 0.81 CDK2 (0.55) CDK2ZAP70SYKPIK3CAPIK3CB
SCHEMBL4385552 0.79 SYK (0.50) CDK2KDM4ESMN1; SMN2POLBRAB9A
SCHEMBL4387753 0.79 CDC7 (0.62) CDK2KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL14378895 0.78 CDK2 (0.70) CDK2ZAP70SYKPIK3CAPIK3CB
SCHEMBL4386260 0.78 CDK2 (0.51) CDK2KDM4EZAP70SYKPIK3CA
SCHEMBL5310238 0.78 CDK2 (0.56) CDK2ZAP70SYKPIK3CAPIK3CB

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