SCHEMBL2216408

SCHEMBL2216408

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NC(C)c2ccccc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.54
MAPK11 Q15759 2/20 0.54
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL2213705 0.87 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL1417047 0.86 MAPK14 (0.73) MAPK14MAPK11ROCK2ROCK1
SCHEMBL2218133 0.86 MAPK14 (0.54) MAPK14MAPK11
SCHEMBL2214258 0.86 CYP3A4 (0.46) MAPK14MAPK11
SCHEMBL2213883 0.85 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL2215786 0.84 CYP3A4 (0.51) MAPK14MAPK11
SCHEMBL2214347 0.84 MAPK14 (0.52) MAPK14MAPK11ROCK2ROCK1
SCHEMBL2215591 0.83 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL2216809 0.83 CYP3A4 (0.52) MAPK14MAPK11
SCHEMBL2216554 0.82 MAPK14 (0.47) MAPK14MAPK11

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-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed