SCHEMBL5560032

SCHEMBL5560032

Cc1nc(-c2c(CCNc3ccc([N+](=O)[O-])c(N)n3)n[c]nc2-c2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.51
GSK3A P49840 3/20 0.51
CDK1 P06493 2/20 0.51
CCNB2 O95067 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
HSD11B1 P28845 1/20 0.31
PSD A5PKW4 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
SCHEMBL4396211 0.79 GSK3B (0.75) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL5093397 0.79 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7022640 0.78 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5082585 0.78 GSK3B (0.58) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5558006 0.77 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7851212 0.75 GSK3B (0.55) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399102 0.75 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399097 0.75 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7022318 0.74 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7019626 0.74 GSK3B (0.54) 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 3 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