SCHEMBL3434073

SCHEMBL3434073

CC(C)(C)OC(=O)N1CCc2cc(C(=O)NC3COCCn4c3nc(-c3ccncn3)cc4=O)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
GPR119 Q8TDV5 4/20 0.38
GSK3B P49841 4/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NR1H2 P55055 1/20 0.36
USP30 Q70CQ3 3/20 0.36
MTOR P42345 2/20 0.35
PIK3CA P42336 1/20 0.35
MAP3K5 Q99683 1/20 0.35
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
IGF1R P08069 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
SCHEMBL3435272 0.97 NR1H2 (0.39) ESR2GPR119GSK3BNR1H2USP30
SCHEMBL3435442 0.86 GSK3B (0.36) GSK3BHDAC8
SCHEMBL3663855 0.74 USP30 (0.42) ESR2GPR119HDAC6NR1H2USP30
SCHEMBL3402193 0.73 GSK3B (0.42) GSK3BMTOR
SCHEMBL3399684 0.73 CRBN (0.42) GSK3BMTOR
SCHEMBL927355 0.73 GSK3B (0.39) GSK3BMTOR
SCHEMBL3425658 0.73 KCNMA1 (0.40) GSK3BMTOR
SCHEMBL3402010 0.73 GSK3B (0.39) 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 3 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