SCHEMBL3435272

SCHEMBL3435272

CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC3COCCn4c3nc(-c3ccncn3)cc4=O)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
GSK3B P49841 4/20 0.37
ESR2 Q92731 1/20 0.36
MAP3K5 Q99683 2/20 0.36
USP30 Q70CQ3 3/20 0.36
MTOR P42345 2/20 0.35
PIK3CA P42336 1/20 0.35
IGF1R P08069 1/20 0.35
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL3434073 0.97 ESR2 (0.40) NR1H2GPR119GSK3BESR2MAP3K5
SCHEMBL3435442 0.89 GSK3B (0.36) GSK3B
SCHEMBL3663855 0.77 USP30 (0.42) NR1H2GPR119ESR2MAP3K5USP30
SCHEMBL3402193 0.73 GSK3B (0.42) GSK3BMTOR
SCHEMBL3425658 0.73 KCNMA1 (0.40) GSK3BMTOR
SCHEMBL3402010 0.73 GSK3B (0.39) GSK3BMTOR
SCHEMBL927355 0.73 GSK3B (0.39) GSK3BMTOR
SCHEMBL3399684 0.73 CRBN (0.42) GSK3BMTOR
SCHEMBL3403493 0.71 GSK3B (0.35) GSK3B
SCHEMBL3400823 0.71 HTR4 (0.42)

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 5 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-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-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