SCHEMBL2649944

SCHEMBL2649944

COc1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 15/20 0.64
MAPK12 P53778 15/20 0.64
MAPK11 Q15759 15/20 0.64
MAPK14 Q16539 15/20 0.64
GCGR P47871 11/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
THRB P10828 1/20 0.64
RAF1 P04049 7/20 0.59
TEK Q02763 1/20 0.53
ALOX5 P09917 1/20 0.52
BRAF P15056 1/20 0.51

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
SCHEMBL6469680 0.85 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6469323 0.81 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6164173 0.81 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL28221004 0.80 MAPT (0.56) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6471005 0.80 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2649730 0.80 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL8388860 0.80 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6466475 0.80 NOX1 (0.71) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL5196177 0.79 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6470896 0.79 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959885-A4 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO INC (US) 2002-07-17 EP claimed
EP-0959885-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE Merck & Co., Inc. (US) 1999-12-01 EP claimed
WO-1998022108-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO claimed
EP-0959885-A4 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO INC (US) 2002-07-17 EP disclosed
EP-0959885-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE Merck & Co., Inc. (US) 1999-12-01 EP disclosed
WO-1998022108-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO disclosed