SCHEMBL4737899

SCHEMBL4737899

N#Cc1ccc(NCCN[CH]C=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.49
DPP7 Q9UHL4 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
GSK3B P49841 3/20 0.43
IDH1 O75874 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP30 Q70CQ3 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3A P49840 1/20 0.37
LIMK1 P53667 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
SLK Q9H2G2 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37

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
SCHEMBL402112 0.88 DPP4 (0.51) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL6638863 0.84 DPP4 (0.53) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL651350 0.79 DPP4 (0.54) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL21095681 0.79 DPP4 (0.50) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL6125342 0.77 DPP4 (0.48) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL8312031 0.76 DPP4 (0.60) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL3115089 0.76 CHEK1 (0.52) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL1514007 0.75 DPP4 (0.53) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL7367925 0.75 DPP7 (0.47) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL2638953 0.75 DPP7 (0.47) DPP4DPP7DPP8GSK3BIDH1

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
EP-1971363-A1 COMBINATION TREATMENTS WITH GASTRIN AGONISTS FOR DIABETES AND RELATED DISEASES Waratah Pharmaceuticals, Inc. (CA) 2008-09-24 EP disclosed
EP-1951286-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS Waratah Pharmaceuticals, Inc. (CA) 2008-08-06 EP disclosed
WO-2008071010-A1 COMBINATION TREATMENTS WITH SELECTED GROWTH/HORMONE REGULATORY FACTORS FOR DIABETES AND RELATED DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2008-06-19 WO disclosed
WO-2007062531-A1 COMBINATION TREATMENTS WITH GASTRIN AGONISTS FOR DIABETES AND RELATED DISEASES WARATAH PHARMACEUTICALS, INC. (CA) 2007-06-07 WO disclosed
WO-2007041833-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS WARATAH PHARMACEUTICALS, INC. (CA) 2007-04-19 WO disclosed