SCHEMBL2218498

SCHEMBL2218498

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NCc2ccccn2)c1N

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.46
MAPK11 Q15759 4/20 0.46
KDM4E B2RXH2 1/20 0.44
DRD4 P21917 1/20 0.42

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
SCHEMBL2214347 0.89 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL2216554 0.88 MAPK14 (0.47) MAPK14MAPK11DRD4
SCHEMBL1417255 0.87 MAPK14 (0.56) MAPK14MAPK11KDM4EDRD4
SCHEMBL2213705 0.85 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL2215688 0.84 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL2217376 0.83 MAPK14 (0.45) MAPK14MAPK11DRD4
SCHEMBL2215757 0.83 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL2214420 0.83 MAPK14 (0.56) MAPK14MAPK11DRD4
SCHEMBL2214745 0.82 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL2218133 0.82 MAPK14 (0.54) 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