SCHEMBL2909972

SCHEMBL2909972

CCc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2N2CC(O)C[C@H]2C(N)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.34
GSK3A P49840 2/20 0.34
GAA P10253 1/20 0.33
CDK1 P06493 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
SCHEMBL2911298 0.84 GSK3B (0.47) GSK3BGSK3AGAACDK1
SCHEMBL2904612 0.81 GSK3B (0.36) GSK3BGSK3ACDK1
SCHEMBL2909549 0.80 GSK3B (0.39) GSK3BGSK3ACDK1
SCHEMBL2910738 0.80 CYP1A2 (0.40)
SCHEMBL2905411 0.78 GSK3B (0.35) GSK3BGSK3ACDK1
SCHEMBL2912527 0.78 GSK3B (0.36) GSK3BGSK3ACDK1
SCHEMBL2909967 0.78 GSK3B (0.33) GSK3BGSK3ACDK1
SCHEMBL2909974 0.78 GSK3B (0.33) GSK3BGSK3ACDK1
SCHEMBL2907486 0.78 AXL (0.33) GSK3BGSK3A
SCHEMBL13455481 0.77 GSK3B (0.37) GSK3BGSK3ACDK1

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