SCHEMBL2654728

SCHEMBL2654728

Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.64
GCGR P47871 10/20 0.64
TGFBR1 P36897 1/20 0.53

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
SCHEMBL2662944 0.76 GCGR (0.60) MAPK14GCGR
SCHEMBL28912040 0.73 GCGR (0.82) MAPK14GCGR
SCHEMBL7852542 0.71 TGFBR1 (0.58) MAPK14GCGRTGFBR1
SCHEMBL2662940 0.70 GCGR (0.97) MAPK14GCGR
SCHEMBL2662559 0.70 GCGR (1.00) MAPK14GCGR
SCHEMBL2646773 0.70 GCGR (1.00) MAPK14GCGR
SCHEMBL31039970 0.69 TGFBR1 (0.59) MAPK14TGFBR1
SCHEMBL31039985 0.69 L3MBTL1 (0.53) TGFBR1
SCHEMBL1358217 0.68 TGFBR1 (0.57) MAPK14TGFBR1
SCHEMBL196552 0.68 L3MBTL1 (0.64) TGFBR1

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