SCHEMBL13635337

SCHEMBL13635337

Cc1ccc(C(=O)NCCO)cc1-n1c(CO)cc(CCc2ccc(F)cc2F)c(Br)c1=O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.63
MAPK11 Q15759 4/20 0.55
ROCK2 O75116 1/20 0.53
MAPK12 P53778 1/20 0.53
STRADA Q7RTN6 1/20 0.53

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
SCHEMBL4376284 0.88 MAPK14 (0.83) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL29594336 0.88 MAPK14 (0.83) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4376230 0.80 MAPK14 (0.81) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL29594285 0.80 MAPK14 (0.81) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3523052 0.80 MAPK14 (0.74) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3522858 0.79 MAPK14 (0.76) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL29594309 0.78 MAPK14 (1.00) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4382895 0.78 MAPK14 (1.00) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5264986 0.76 MAPK14 (0.65) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6506012 0.75 MAPK14 (0.83) MAPK14MAPK11ROCK2MAPK12STRADA

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