SCHEMBL7198082

SCHEMBL7198082

N#Cc1ccc(-c2nc(=NCCNc3ccc([N+](=O)[O-])c(N)n3)[nH]cc2-c2ncc[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.48
GSK3A P49840 3/20 0.48
CDK1 P06493 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48

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
SCHEMBL4393953 0.83 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7024712 0.79 JAK3 (0.38)
SCHEMBL5092405 0.73 GSK3B (0.55) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100038 0.72 GSK3B (0.82) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7696009 0.72 GSK3B (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4992921 0.72 GSK3B (0.73) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4395954 0.71 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4393950 0.70 GSK3B (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5095168 0.70 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7696006 0.70 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1

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