SCHEMBL8105079

SCHEMBL8105079

N#Cc1ccc(Cc2cnc(Cc3ccc(-c4ccccc4CNC(=O)CN)cc3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 18/20 0.58
AOC3 Q16853 1/20 0.39
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
Hydrochloric Acid SCHEMBL8308941 0.99 BRS3 (0.58) BRS3AOC3SCN2ASCN10A
SCHEMBL8112598 0.90 BRS3 (0.59) BRS3SCN2ASCN10A
SCHEMBL8305740 0.85 BRS3 (0.59) BRS3
Hydrochloric Acid SCHEMBL8572447 0.84 BRS3 (0.58) BRS3
SCHEMBL8107240 0.83 BRS3 (0.62) BRS3
SCHEMBL8110713 0.83 BRS3 (0.57) BRS3
SCHEMBL8112630 0.83 BRS3 (0.55) BRS3
SCHEMBL8112556 0.82 BRS3 (0.55) BRS3
Hydrochloric Acid SCHEMBL8304300 0.82 BRS3 (0.56) BRS3
Hydrochloric Acid SCHEMBL8309307 0.82 BRS3 (0.54) BRS3

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-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP claimed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 WO claimed
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP disclosed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed