SCHEMBL3658358

SCHEMBL3658358

NC1CNCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.52
LATS1 O95835 2/20 0.41
CDC7 O00311 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39

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 SCHEMBL4212510 0.99 GSK3B (0.51) GSK3BLATS1CDC7KDM5BPRKCB
Bromide SCHEMBL3664248 0.99 GSK3B (0.51) GSK3BLATS1CDC7KDM5BPRKCB
SCHEMBL3662162 0.85 GSK3B (0.54) GSK3B
SCHEMBL3658356 0.84 GSK3B (0.48) GSK3BLATS1CDC7KDM5BPRKCB
Bromide SCHEMBL3655895 0.84 GSK3B (0.53) GSK3B
SCHEMBL2065267 0.83 GSK3B (0.42) GSK3BCDC7KDM5BPRKCBPRKCA
Hydrochloric Acid SCHEMBL4212507 0.83 GSK3B (0.47) GSK3BLATS1CDC7KDM5BPRKCB
SCHEMBL2065131 0.81 PRKCD (0.42) GSK3BLATS1CDC7KDM5BPRKCB
SCHEMBL2064259 0.80 GSK3B (0.43) GSK3BLATS1CDC7KDM5BPRKCB
SCHEMBL927707 0.78 GSK3B (0.41) GSK3BLATS1CDC7KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507475-B2 Substituted heteroarylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US claimed
EP-2238140-B1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2013-07-17 EP claimed
EP-2238140-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-10-13 EP claimed
EP-2090579-A1 Substituted heteroarylamide diazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-19 EP claimed
WO-2009095792-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO claimed
US-8507475-B2 Substituted heteroarylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
EP-2238140-B1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2013-07-17 EP disclosed
EP-2238140-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2090579-A1 Substituted heteroarylamide diazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-19 EP disclosed
WO-2009095792-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed