SCHEMBL3430266

SCHEMBL3430266

CCOCCNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.77
CYP2C9 P11712 12/20 0.74
MAPK11 Q15759 3/20 0.74
BUB1 O43683 1/20 0.73
PRKACG P22612 1/20 0.73
MAPKAPK2 P49137 1/20 0.73
ACSL5 Q9ULC5 1/20 0.73
STK24 Q9Y6E0 1/20 0.73
MAPK13 O15264 2/20 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
SCHEMBL3426933 0.92 MAPK14 (0.78) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3405486 0.90 MAPK14 (0.87) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3431414 0.89 MAPK14 (0.82) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3429819 0.88 MAPK14 (0.80) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3409067 0.87 MAPK14 (0.82) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL20448599 0.87 MAPK14 (1.00) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL6873218 0.86 MAPK14 (0.84) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3427536 0.85 MAPK14 (0.84) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3429198 0.85 MAPK14 (0.78) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL3408897 0.85 MAPK14 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258687-B1 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
EP-2258687-A1 Nicotinamide derivates useful as P38 inhibitors Glaxosmithkline LLC (US) 2010-12-08 EP disclosed