SCHEMBL3010385

SCHEMBL3010385

Cc1cc(F)ccc1-c1nc(NCC(=O)OC(=O)CNc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.46
MAPK13 O15264 7/20 0.46
MAPK12 P53778 7/20 0.46
MAPK11 Q15759 7/20 0.46
KCNH2 Q12809 1/20 0.44
CTSA P10619 5/20 0.36
TRPA1 O75762 1/20 0.33
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL1060363 0.95 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1059217 0.91 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3010382 0.91 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065137 0.90 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066925 0.89 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1060756 0.88 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066827 0.88 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065206 0.87 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1063681 0.87 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10204239 0.87 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4524072-B2 2010-08-11 JP claimed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP claimed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP claimed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 WO claimed