SCHEMBL7858293

SCHEMBL7858293

Nc1nc(NCC[AsH]c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.79
GSK3A P49840 4/20 0.79
CDK1 P06493 3/20 0.79
CCNB2 O95067 2/20 0.79
CCNB1 P14635 2/20 0.79
CCNB3 Q8WWL7 2/20 0.79
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
NPBWR1 P48145 1/20 0.34
DHFR P00374 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL30175666 0.88 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29402871 0.88 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4394521 0.88 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29408793 0.88 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4404418 0.88 GSK3B (0.84) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7858290 0.87 GSK3B (0.59) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094219 0.86 GSK3B (0.79) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401821 0.86 GSK3B (0.81) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100153 0.85 GSK3B (0.76) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL22191665 0.81 GSK3B (0.79) 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-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed