SCHEMBL2912816

SCHEMBL2912816

Nc1nc(NCCCn2cc(C(=O)N3C[C@H](O)C[C@H]3C(=O)O)c(-c3ccc(-n4ccnc4)cc3)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CDK1 P06493 1/20 0.38
GAA P10253 1/20 0.32

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
SCHEMBL2909662 0.86 GSK3A (0.44) GSK3AGSK3BCDK1
SCHEMBL2909976 0.85 GSK3A (0.39) GSK3AGSK3BCDK1
SCHEMBL2913331 0.84 CDK1 (0.41) GSK3AGSK3BCDK1
SCHEMBL2906860 0.83 GSK3A (0.39) GSK3AGSK3BCDK1
SCHEMBL2911937 0.82 CDK1 (0.42) GSK3AGSK3BCDK1
SCHEMBL2910066 0.82 GSK3A (0.38) GSK3AGSK3BCDK1
SCHEMBL2912012 0.81 GSK3A (0.41) GSK3AGSK3BCDK1
SCHEMBL2911578 0.81 GSK3A (0.38) GSK3AGSK3BCDK1
SCHEMBL2904171 0.81 GSK3A (0.38) GSK3AGSK3BCDK1
SCHEMBL2903761 0.81 CDK1 (0.38) GSK3AGSK3BCDK1

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