SCHEMBL2649841

SCHEMBL2649841

Clc1ccc(-c2nc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.76
MAPK13 O15264 16/20 0.76
MAPK12 P53778 16/20 0.76
MAPK11 Q15759 16/20 0.76
GCGR P47871 11/20 0.76
RAF1 P04049 8/20 0.72
BRAF P15056 2/20 0.61
ALOX5 P09917 1/20 0.60
BRDT Q58F21 1/20 0.58

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
SCHEMBL6469901 0.95 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL2650673 0.85 MAPK13 (0.86) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6470896 0.85 MAPK13 (0.86) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6470581 0.84 MAPK13 (0.81) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5921859 0.84 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6469111 0.84 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL2649730 0.84 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6471005 0.84 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6469564 0.83 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL2647720 0.83 MAPK13 (0.78) 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 7 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
WO-1998022108-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO disclosed