SCHEMBL7204288

SCHEMBL7204288

N=c1[nH]c(NCCNc2ncc(N3C(=O)CNCC3=O)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.55
GSK3A P49840 4/20 0.52
CDK1 P06493 3/20 0.52
CCNB2 O95067 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
PRKCQ Q04759 9/20 0.37
MAPK14 Q16539 2/20 0.36
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36
LIMK1 P53667 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
SLK Q9H2G2 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
STK17A Q9UEE5 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL5093589 0.86 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100846 0.83 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401816 0.78 GSK3B (0.77) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5092714 0.77 GSK3B (0.75) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401599 0.76 GSK3B (0.85) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100249 0.74 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5089235 0.74 GSK3B (0.76) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4393762 0.73 GSK3B (0.72) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4393595 0.73 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4404401 0.73 GSK3B (0.65) 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