SCHEMBL5558006

SCHEMBL5558006

Cc1c[nH]c(-c2cc(CCNc3ccc([N+](=O)[O-])c(N)n3)[c]nc2-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.53
GSK3A P49840 4/20 0.53
CDK1 P06493 3/20 0.53
CCNB2 O95067 2/20 0.53
CCNB1 P14635 2/20 0.53
CCNB3 Q8WWL7 2/20 0.53
NPBWR1 P48145 1/20 0.31
HSD11B1 P28845 1/20 0.31
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
LIMK1 P53667 1/20 0.30
TAOK1 Q7L7X3 1/20 0.30
SLK Q9H2G2 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
CSNK1G1 Q9HCP0 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL7022318 0.88 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399097 0.86 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7851212 0.85 GSK3B (0.55) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7856014 0.84 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7022640 0.82 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4394600 0.81 GSK3B (0.79) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5560032 0.77 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399102 0.75 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4396711 0.75 GSK3B (0.68) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4394603 0.74 GSK3B (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490093-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-04-11 EP disclosed
EP-1490093-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2004-12-29 EP disclosed
WO-2003074072-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2003-09-12 WO disclosed
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