SCHEMBL2911302

SCHEMBL2911302

Nc1nc(NCCCn2cc(NC(=O)[C@@H]3CC(O)CN3)c(-c3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.47
GSK3A P49840 3/20 0.47
CDK1 P06493 2/20 0.47
CCNB2 O95067 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
ABL1 P00519 4/20 0.34
BCR P11274 4/20 0.34

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
SCHEMBL2911295 1.00 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909967 0.84 GSK3B (0.33) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909974 0.84 GSK3B (0.33) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910561 0.84 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2913657 0.82 GSK3B (0.44) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912784 0.81 GSK3B (0.49) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2907499 0.81 GSK3B (0.49) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910746 0.81 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2914179 0.80 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904807 0.79 GSK3B (0.45) 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