SCHEMBL2650776

SCHEMBL2650776

Clc1cccc(-c2nc(-c3ccc(I)cc3)c(-c3ccncc3)[nH]2)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 18/20 0.74
MAPK12 P53778 18/20 0.74
MAPK11 Q15759 18/20 0.74
MAPK14 Q16539 18/20 0.74
RAF1 P04049 8/20 0.74
GCGR P47871 10/20 0.74
ALOX5 P09917 2/20 0.65
MAPK9 P45984 1/20 0.59
BRAF P15056 2/20 0.56

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
SCHEMBL2647720 0.92 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469564 0.92 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6468431 0.91 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6465619 0.91 MAPK13 (0.90) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2647655 0.91 MAPK14 (0.89) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2648558 0.89 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2648525 0.86 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2650500 0.86 MAPK14 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2647500 0.85 GCGR (0.76) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2647296 0.82 GCGR (0.78) MAPK13MAPK12MAPK11MAPK14RAF1

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