SCHEMBL2647609

SCHEMBL2647609

CNc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.79
MAPK14 Q16539 13/20 0.79
MAPK13 O15264 2/20 0.66
RAF1 P04049 2/20 0.66
MAPK9 P45984 2/20 0.66
MAPK12 P53778 2/20 0.66
MAPK11 Q15759 2/20 0.66
MAPK8 P45983 1/20 0.66

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
SCHEMBL2662559 0.89 GCGR (1.00) GCGRMAPK14MAPK13RAF1MAPK9
SCHEMBL2647604 0.82 GCGR (1.00) GCGRMAPK14
SCHEMBL6586611 0.82 GCGR (0.86) GCGRMAPK14
SCHEMBL21557189 0.82 GCGR (1.00) GCGRMAPK14MAPK13RAF1MAPK9
SCHEMBL8325229 0.80 MAPK14 (1.00) GCGRMAPK14MAPK13RAF1MAPK9
SCHEMBL2647090 0.80 MAPK14 (0.75) GCGRMAPK14MAPK13RAF1MAPK9
SCHEMBL13130596 0.80 MAPK14 (0.75) GCGRMAPK14MAPK13RAF1MAPK9
SCHEMBL8119445 0.80 MAPK14 (0.75) GCGRMAPK14MAPK13RAF1MAPK9
SCHEMBL8680959 0.79 GCGR (0.79) GCGRMAPK14
SCHEMBL5107178 0.77 GCGR (0.76) GCGRMAPK14MAPK13RAF1MAPK9

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 4 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