SCHEMBL2650068

SCHEMBL2650068

Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 17/20 1.00
MAPK12 P53778 17/20 1.00
MAPK11 Q15759 17/20 1.00
MAPK14 Q16539 17/20 1.00
GCGR P47871 8/20 1.00
RAF1 P04049 8/20 0.83
MAPK9 P45984 1/20 0.82
BRAF P15056 2/20 0.74
TP53 P04637 1/20 0.74
MAPT P10636 1/20 0.74
ALOX5 P09917 1/20 0.74

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
SCHEMBL6469543 1.00 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL11176392 0.92 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL7228717 0.91 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2949385 0.91 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2650673 0.87 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2648930 0.87 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6470896 0.87 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6469294 0.87 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6470581 0.86 MAPK13 (0.81) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL28158811 0.86 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