SCHEMBL7022652

SCHEMBL7022652

N#Cc1ccc(-c2nc(NCCNc3ccc(N)cn3)ncc2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39
GSK3B P49841 2/20 0.39
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
MERTK Q12866 1/20 0.38
DPP7 Q9UHL4 2/20 0.37
DPP4 P27487 7/20 0.37
KDM1A O60341 1/20 0.37
TPH1 P17752 1/20 0.36

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
SCHEMBL5091305 0.87 ALDH1A1 (0.41) ZAP70SYKGSK3BCCNB2CDK1
SCHEMBL27541489 0.86 GSK3B (0.39) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL5092032 0.85 GSK3B (0.44) GSK3BDPP7DPP4
SCHEMBL27559821 0.83 MERTK (0.43) ZAP70SYKGSK3BGSK3AMERTK
SCHEMBL27559810 0.82 GSK3B (0.46) ZAP70SYKGSK3BCCNB2CDK1
SCHEMBL7021332 0.80 EIF4E (0.38) ZAP70SYKGSK3BCCNB2CDK1
SCHEMBL5093431 0.79 ALDH1A1 (0.45) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL5092422 0.78 GSK3B (0.45) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL5099247 0.78 MAPK8 (0.44) ZAP70SYKGSK3BDPP7DPP4
SCHEMBL27559808 0.78 EIF4E (0.39) ZAP70SYKGSK3BCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed