SCHEMBL6472895

SCHEMBL6472895

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1-c1cc(NC(=O)C(C)(C)O)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.37
ROCK2 O75116 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
STRADA Q7RTN6 1/20 0.35
BRD4 O60885 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL6472074 0.91 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474371 0.88 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471545 0.85 PKM (0.41) MAPK14BRD4
SCHEMBL6471141 0.83 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472000 0.82 MAPK14 (0.49) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472855 0.82 PTGER1 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473760 0.81 MAPK14 (0.50) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472056 0.81 MAPK14 (0.47) MAPK14
SCHEMBL6471205 0.81 MAPK14 (0.43) MAPK14
SCHEMBL6471786 0.78 MAPK14 (0.39) 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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed