SCHEMBL3627699

SCHEMBL3627699

[CH2]CCCNc1ccc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.46
DPP7 Q9UHL4 2/20 0.45
DPP8 Q6V1X1 1/20 0.43
GSK3B P49841 1/20 0.41
IDH1 O75874 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP30 Q70CQ3 1/20 0.38
CHEK1 O14757 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
SCHEMBL7367925 0.90 DPP7 (0.47) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL6638863 0.86 DPP4 (0.53) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL1725026 0.84 CHEK1 (0.52) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL14996239 0.84 HCAR3 (0.54) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL3115089 0.84 CHEK1 (0.52) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL1344707 0.83 IDH1 (0.43) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL8352280 0.83 CHEK1 (0.48) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL9405308 0.83 HCAR3 (0.55) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL13617155 0.80 DPP4 (0.43) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL1726095 0.80 DPP7 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO disclosed