SCHEMBL15850331

SCHEMBL15850331

CSCCNc1ccc(C#N)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.44
DPP4 P27487 10/20 0.44
GSK3B P49841 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
IDH1 O75874 3/20 0.42
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3A P49840 1/20 0.39
LIMK1 P53667 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
SLK Q9H2G2 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL6638863 0.85 DPP4 (0.53) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL3049238 0.82 HCAR3 (0.51) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL6125342 0.81 DPP4 (0.48) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL21095681 0.79 DPP4 (0.50) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL14996239 0.79 HCAR3 (0.54) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL1726095 0.79 DPP7 (0.50) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL7367925 0.79 DPP7 (0.47) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL2638953 0.79 DPP7 (0.47) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL2638951 0.79 DPP7 (0.47) DPP7DPP4GSK3BDPP8IDH1
SCHEMBL1119557 0.79 DPP7 (0.50) DPP7DPP4GSK3BDPP8IDH1

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
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed