SCHEMBL7670525

SCHEMBL7670525

CSc1nccc(-c2[nH]cnc2-c2ccc(F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
CSNK1D P48730 3/20 0.62
JAK3 P52333 1/20 0.62
MAPK13 O15264 5/20 0.54
MAPK12 P53778 5/20 0.54
MAPK11 Q15759 5/20 0.54
RAF1 P04049 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1E P49674 2/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL6987464 0.86 KDM4E (0.54) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL8131381 0.85 MAPK14 (0.57) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL21621304 0.81 L3MBTL1 (0.58) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL7665444 0.80 MAPK14 (0.52) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL5850352 0.78 MAPK14 (0.53) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL4974887 0.78 MAPK14 (0.81) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL1554639 0.76 MAPK14 (0.54) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL5769601 0.76 MAPK14 (0.62) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL6579207 0.76 MAPK14 (0.53) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL6619193 0.75 MAPK14 (0.53) MAPK14CSNK1DJAK3MAPK13MAPK12

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-6414150-B1 POTENT AND SELECTIVE INHIBITORS OF CSBP/P38/RK KINASE ACTIVITY; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-02 US claimed
US-6414150-B1 POTENT AND SELECTIVE INHIBITORS OF CSBP/P38/RK KINASE ACTIVITY; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-02 US disclosed
EP-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed