SCHEMBL5962342

SCHEMBL5962342

CSc1nccc(-c2[nH]c(C3(NC(=O)O)CCCCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.54
CSNK1D P48730 2/20 0.54
JAK3 P52333 1/20 0.54
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CSNK1E P49674 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
GSK3B P49841 4/20 0.38
GSK3A P49840 1/20 0.37

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
SCHEMBL5962428 0.84 MAPK14 (0.36) MAPK14CSNK1DJAK3CSNK1EGSK3B
SCHEMBL7677062 0.83 MAPK14 (0.36) MAPK14CSNK1DJAK3GSK3BGSK3A
SCHEMBL5962380 0.81 MAPK14 (0.57) MAPK14CSNK1DGSK3BGSK3A
SCHEMBL5962371 0.80 MAPK14 (0.51) MAPK14CSNK1DCSNK1EGSK3B
SCHEMBL4974887 0.71 MAPK14 (0.81) MAPK14CSNK1DJAK3GSK3BGSK3A
SCHEMBL5768899 0.71 MAPK14 (0.58) MAPK14CSNK1DJAK3
SCHEMBL5767150 0.70 MAPK14 (0.55) MAPK14CSNK1DJAK3
SCHEMBL5772817 0.69 MAPK14 (0.56) MAPK14CSNK1DJAK3
SCHEMBL5769737 0.69 MAPK14 (0.47) MAPK14CSNK1DJAK3CCNA2CDK2
SCHEMBL5769731 0.69 MAPK14 (0.56) MAPK14CSNK1DJAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026336-B1 4-pyridinylimidazol-2-ylhydrocarbyl amine, (thio)urea, carbamic acid or sulfonamide derivatives, e.g., (2-(4-(4-Chloro-3-methoxy-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl)-2-methyl-propyl)-carbamic acid tert-butyl ester; Raf kinase inhibitors for the treatment of neurotraumatic diseases SMITHKLINE BEECHAM P.L.C. (GB) 2006-04-11 US disclosed
EP-1232153-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-11-03 EP disclosed
EP-1232153-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-08-21 EP disclosed
WO-2001038324-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-31 WO disclosed