SCHEMBL2647264

SCHEMBL2647264

[O-][S+](c1ccccc1)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.77
GCGR P47871 11/20 0.77
MAPK13 O15264 1/20 0.61
RAF1 P04049 1/20 0.61
MAPK9 P45984 1/20 0.61
MAPK12 P53778 1/20 0.61
MAPK11 Q15759 1/20 0.61

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
SCHEMBL13130596 0.85 MAPK14 (0.75) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL2647090 0.85 MAPK14 (0.75) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL8119445 0.85 MAPK14 (0.75) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL2662559 0.84 GCGR (1.00) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL8318877 0.81 GCGR (0.66) MAPK14GCGR
SCHEMBL2647604 0.78 GCGR (1.00) MAPK14GCGR
SCHEMBL6586611 0.78 GCGR (0.86) MAPK14GCGR
SCHEMBL8325229 0.76 MAPK14 (1.00) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL2647609 0.75 GCGR (0.79) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL21557189 0.75 GCGR (1.00) MAPK14GCGRMAPK13RAF1MAPK9

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-0859771-A4 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2000-03-15 EP claimed
EP-0859771-A1 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-08-26 EP claimed
US-5776954-A GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-07-07 US claimed
WO-1997016442-A1 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-05-09 WO claimed
US-5776954-A GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-07-07 US disclosed
WO-1997016442-A1 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-05-09 WO disclosed