SCHEMBL2647500

SCHEMBL2647500

CC(C)(C)c1ccc(-c2nc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.76
MAPK14 Q16539 16/20 0.68
MAPK13 O15264 15/20 0.68
MAPK12 P53778 15/20 0.68
MAPK11 Q15759 15/20 0.68
RAF1 P04049 7/20 0.68
ALOX5 P09917 3/20 0.63
MAPK9 P45984 1/20 0.54

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
SCHEMBL2648525 0.89 MAPK13 (0.73) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2647720 0.88 MAPK13 (0.78) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL6469564 0.88 MAPK13 (0.78) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2647164 0.87 GCGR (1.00) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL6465619 0.86 MAPK13 (0.90) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2647655 0.86 MAPK14 (0.89) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2650776 0.85 MAPK13 (0.74) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2648558 0.84 MAPK14 (0.74) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2650500 0.82 MAPK14 (0.79) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL6468431 0.82 MAPK13 (0.73) GCGRMAPK14MAPK13MAPK12MAPK11

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-0959886-A4 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO INC (US) 2001-05-02 EP claimed
EP-0959886-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS Merck & Co., Inc. (US) 1999-12-01 EP claimed
WO-1998022109-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-05-28 WO claimed
EP-0959886-A4 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO INC (US) 2001-05-02 EP disclosed
EP-0959886-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS Merck & Co., Inc. (US) 1999-12-01 EP disclosed
US-5880139-A TREATING DIABETES, OBESITY, HYPERTENSION, CACHEXIA MERCK & CO., INC. (US) 1999-03-09 US disclosed
WO-1998022109-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-05-28 WO disclosed