SCHEMBL4427792

SCHEMBL4427792

NCc1ccc(Cc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
MAPK14 Q16539 14/20 0.54
MAPK13 O15264 13/20 0.54
MAPK12 P53778 13/20 0.54
MAPK11 Q15759 13/20 0.54
GCGR P47871 5/20 0.54
RAF1 P04049 8/20 0.54
MAPK9 P45984 1/20 0.54
BRAF P15056 5/20 0.53
GSK3B P49841 1/20 0.46
BRDT Q58F21 1/20 0.45

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
SCHEMBL28404728 0.89 MAPK14 (0.58) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4434506 0.84 MAPK14 (0.66) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL3278317 0.83 KDM4E (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7236344 0.83 ALOX5 (0.79) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL16511391 0.83 ALOX5 (0.79) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL26110690 0.79 MAPK13 (0.52) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1929921 0.78 KDM4E (0.55) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL28403339 0.78 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL28406311 0.78 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL28400735 0.77 MAPK13 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487436-A4 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARM INC (US) 2009-06-03 EP disclosed
EP-1487436-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS Signal Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
WO-2003075917-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARMACEUTICALS, INC. (US) 2003-09-18 WO disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO disclosed