SCHEMBL6472889

SCHEMBL6472889

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1Cc1cnc(NC(=O)C(C)(C)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.39
ROCK2 O75116 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
STRADA Q7RTN6 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL6473783 0.90 MAPK14 (0.40) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473466 0.89 MAPK14 (0.38) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474134 0.89 MAPK14 (0.42) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474953 0.84 MAPK14 (0.39) MAPK14
Hydrochloric Acid SCHEMBL6473630 0.84 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474965 0.84 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471141 0.84 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471522 0.84 MAPK14 (0.42) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472890 0.83 MAPK14 (0.42) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471970 0.83 MAPK14 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed