SCHEMBL2648877

SCHEMBL2648877

CCc1csc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.61
MAPK13 O15264 13/20 0.61
MAPK12 P53778 13/20 0.61
MAPK11 Q15759 13/20 0.61
MAPK14 Q16539 13/20 0.61
RAF1 P04049 5/20 0.56
BRAF P15056 2/20 0.47
ALOX5 P09917 1/20 0.46

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
SCHEMBL6606327 0.80 MAPK13 (0.71) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL6471005 0.77 MAPK13 (1.00) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL2649730 0.77 MAPK13 (1.00) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL2647350 0.74 GCGR (1.00) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL8309758 0.74 MAPK13 (0.75) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL2648873 0.73 MAPK13 (0.73) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL19869000 0.73 MAPK13 (0.73) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL8309945 0.73 MAPK14 (0.73) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL12673346 0.72 GFER (0.39)
SCHEMBL5921859 0.72 MAPK13 (1.00) GCGRMAPK13MAPK12MAPK11MAPK14

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