SCHEMBL13635776

SCHEMBL13635776

C=Cc1ccc(-n2c(C)cc(CCc3ccc(F)cc3F)c(Br)c2=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.48
ROCK2 O75116 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
STRADA Q7RTN6 1/20 0.42

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
SCHEMBL4376529 0.84 MAPK14 (0.68) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594177 0.84 MAPK14 (0.68) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL13635206 0.79 MAPK14 (0.36) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6506677 0.77 MAPK14 (0.71) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3526705 0.77 MAPK14 (0.48) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4376213 0.75 MAPK14 (0.45) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6507022 0.72 MAPK14 (0.62) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471368 0.71 MAPK14 (0.71) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6507997 0.71 MAPK14 (0.74) MAPK14
SCHEMBL27765711 0.69 MAPK14 (0.79) MAPK14ROCK2MAPK12MAPK11STRADA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed