SCHEMBL3396964

SCHEMBL3396964

NC1COCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.46
CYP2D6 P10635 8/20 0.42
CYP1A2 P05177 4/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3A P49840 1/20 0.41

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 SCHEMBL4411055 0.99 GSK3B (0.45) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3397060 0.86 GSK3B (0.46) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3398121 0.85 GSK3B (0.43) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL927707 0.85 GSK3B (0.41) GSK3BCYP2D6CYP1A2
SCHEMBL2064447 0.84 GSK3B (0.50) GSK3BCYP2D6
Hydrochloric Acid SCHEMBL4411050 0.84 GSK3B (0.42) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2064851 0.82 GSK3B (0.48) GSK3BCYP2D6
SCHEMBL2065123 0.81 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL3662162 0.80 GSK3B (0.54) GSK3B
SCHEMBL3658705 0.80 GSK3B (0.57) GSK3BCYP2D6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501728-B2 Substituted heteroarylamide oxazepinopyrimidone derivatives SANOFI (FR) 2013-08-06 US claimed
EP-2247598-B1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2012-10-24 EP claimed
EP-2247598-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP claimed
WO-2009095787-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO claimed
EP-2085400-A1 Substituted heteroarylamide oxazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-05 EP claimed
EP-2247598-B1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2012-10-24 EP disclosed
EP-2247599-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP disclosed
EP-2247598-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP disclosed
WO-2009095787-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed
WO-2009095788-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed
EP-2085400-A1 Substituted heteroarylamide oxazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-05 EP disclosed