SCHEMBL2907512

SCHEMBL2907512

CCc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2NC(=O)Cn2ccc(C(C)=O)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
KAT2B Q92831 1/20 0.30
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
SCHEMBL2912544 0.88 CYP19A1 (0.37) GSK3AGSK3BCDK1
SCHEMBL2912527 0.87 GSK3B (0.36) GSK3AGSK3BKAT2BCDK1
SCHEMBL2908407 0.87 GSK3B (0.34) GSK3AGSK3BKAT2BCDK1
SCHEMBL2907498 0.86 RAB9A (0.38) GSK3AGSK3B
SCHEMBL2904881 0.86 RAB9A (0.39) GSK3AGSK3B
SCHEMBL2912926 0.85 BDKRB1 (0.34) GSK3AGSK3BKAT2B
SCHEMBL2939108 0.85 GSK3B (0.45) GSK3AGSK3BCDK1
SCHEMBL2910394 0.84 KDM4E (0.39) GSK3B
SCHEMBL2910651 0.84 MAPT (0.36)
SCHEMBL2913211 0.83 POLB (0.46) GSK3AGSK3B

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