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SCHEMBL2214347

SCHEMBL2214347

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NCc2ccccc2)c1N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.52
▸ MAPK11 Q15759 3/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ RIPK2 O43353 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
SCHEMBL2215688 0.92 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL2217376 0.91 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1
SCHEMBL2216554 0.91 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL2214420 0.90 MAPK14 (0.56) MAPK14MAPK11ROCK2ROCK1
SCHEMBL2216010 0.89 PSEN1 (0.43) MAPK14MAPK11ROCK2ROCK1RIPK2
SCHEMBL2218498 0.89 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL2214745 0.89 MAPK14 (0.44) MAPK14MAPK11ROCK2ROCK1
SCHEMBL2213705 0.87 MAPK14 (0.52) MAPK14MAPK11RIPK2
SCHEMBL2218133 0.87 MAPK14 (0.54) MAPK14MAPK11
SCHEMBL2215757 0.86 MAPK14 (0.46) 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