SCHEMBL27598484

SCHEMBL27598484

NCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2c(F)ccc(F)c2Cl)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.56
CYP2C9 P11712 12/20 0.56
MAPK11 Q15759 3/20 0.56
BUB1 O43683 1/20 0.55
PRKACG P22612 1/20 0.55
MAPKAPK2 P49137 1/20 0.55
ACSL5 Q9ULC5 1/20 0.55
STK24 Q9Y6E0 1/20 0.55
MET P08581 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
GABRA5 P31644 1/20 0.39

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
SCHEMBL27598479 0.92 MAPK14 (0.56) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27598614 0.89 MAPK14 (0.55) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3411695 0.89 MAPK14 (0.71) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL29795128 0.89 MAPK14 (0.71) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL28963860 0.88 MAPK14 (0.54) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27598701 0.88 MAPK14 (0.54) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL28754431 0.86 MAPK14 (0.57) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27617069 0.86 MAPK14 (0.57) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27617054 0.86 MAPK14 (0.64) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27617224 0.85 MAPK14 (0.56) MAPK14CYP2C9MAPK11BUB1PRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100369898-C Nicotinamide derivates useful as p38 inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-20 CN claimed
CN-100369898-C Nicotinamide derivates useful as p38 inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-20 CN disclosed
CN-1633416-A Nicotinamide derivatives as p38 inhibitors SMITHKLINE BEECHAM CORP (US) 2005-06-29 CN disclosed