SCHEMBL2213705

SCHEMBL2213705

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.52
MAPK11 Q15759 1/20 0.51
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
RIPK2 O43353 3/20 0.44
KIT P10721 1/20 0.43

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
SCHEMBL2215786 0.97 CYP3A4 (0.51) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL2216809 0.96 CYP3A4 (0.52) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL2215591 0.96 MAPK14 (0.48) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL2214411 0.94 MAPK14 (0.46) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL2214153 0.90 MAPK14 (0.45) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL2218133 0.90 MAPK14 (0.54) MAPK14MAPK11KIT
SCHEMBL2215757 0.89 MAPK14 (0.46) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL2213883 0.89 MAPK14 (0.47) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL2212193 0.89 MAPK14 (0.44) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL2220451 0.88 MAPK14 (0.48) MAPK14MAPK11CYP3A4CYP2C9RIPK2

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