SCHEMBL2648309

SCHEMBL2648309

FC(F)(F)c1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 18/20 0.81
MAPK12 P53778 18/20 0.81
MAPK11 Q15759 18/20 0.81
MAPK14 Q16539 18/20 0.81
GCGR P47871 14/20 0.81
RAF1 P04049 6/20 0.78
MAPK9 P45984 3/20 0.63
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
FRK P42685 1/20 0.63
CSNK1A1 P48729 1/20 0.63
CSNK1D P48730 1/20 0.63
GSK3B P49841 1/20 0.63
PTK6 Q13882 1/20 0.63
PRKD2 Q9BZL6 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
ALOX5 P09917 2/20 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
SCHEMBL67984 0.93 MAPK13 (0.89) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2649730 0.90 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6471005 0.90 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2647164 0.88 GCGR (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6469182 0.88 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2650080 0.88 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6464525 0.88 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2648525 0.86 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6469126 0.86 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2649616 0.86 MAPK13 (1.00) 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