SCHEMBL2911298

SCHEMBL2911298

NC(=O)[C@@H]1CC(O)CN1c1cn(CCCNc2ccc([N+](=O)[O-])c(N)n2)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.47
GSK3A P49840 3/20 0.47
CDK1 P06493 2/20 0.44
CCNB2 O95067 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2909972 0.84 GSK3B (0.34) GSK3BGSK3ACDK1GAA
SCHEMBL1219415 0.81 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904182 0.81 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2913657 0.79 GSK3B (0.44) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912175 0.79 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911295 0.78 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911302 0.78 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909523 0.78 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911606 0.78 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910561 0.78 GSK3B (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed