SCHEMBL28751623

SCHEMBL28751623

NCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2cccc(Cl)c2F)cn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.55
CYP2C9 P11712 11/20 0.55
MAPK11 Q15759 3/20 0.55
BUB1 O43683 1/20 0.52
PRKACG P22612 1/20 0.52
MAPKAPK2 P49137 1/20 0.52
ACSL5 Q9ULC5 1/20 0.52
STK24 Q9Y6E0 1/20 0.52
HPGDS O60760 1/20 0.39
MAPK13 O15264 1/20 0.38
ROCK2 O75116 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL27617224 0.89 MAPK14 (0.56) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3406993 0.89 MAPK14 (0.71) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL30336151 0.89 MAPK14 (0.71) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27598479 0.89 MAPK14 (0.56) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27598614 0.88 MAPK14 (0.55) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27598541 0.87 MAPK14 (0.59) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL28963860 0.87 MAPK14 (0.54) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27598485 0.85 MAPK14 (0.54) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27598701 0.85 MAPK14 (0.54) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL27598484 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