SCHEMBL13635607

SCHEMBL13635607

Bc1c(OCc2ccc(F)cc2F)cc(C)n(-c2cnc(C(=O)O)nc2C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.49
PTGER1 P34995 1/20 0.49
ROCK2 O75116 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
STRADA Q7RTN6 1/20 0.47
MAPKAPK2 P49137 1/20 0.46

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
SCHEMBL29593356 0.89 MAPK14 (0.64) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL5862110 0.89 MAPK14 (0.64) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL13635221 0.84 MAPK14 (0.49) MAPK14MAPKAPK2
SCHEMBL5862488 0.81 MAPK14 (0.68) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594138 0.81 MAPK14 (0.68) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL5862513 0.80 MAPK14 (0.70) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594386 0.80 MAPK14 (0.70) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3525498 0.79 MAPK14 (0.47) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL13635917 0.76 MAPK14 (0.55) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL13635341 0.76 MAPK14 (0.68) MAPK14PTGER1ROCK2MAPK12MAPK11

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