SCHEMBL5545560

SCHEMBL5545560

CSCCCNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 0.37
GSK3B P49841 20/20 0.37

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
SCHEMBL3521844 0.84 MAT2A (0.38) GSK3AGSK3B
SCHEMBL3527204 0.84 GSK3A (0.41) GSK3AGSK3B
SCHEMBL3528514 0.84 GSK3B (0.33) GSK3AGSK3B
SCHEMBL5545590 0.83 GSK3B (0.35) GSK3AGSK3B
SCHEMBL3529268 0.83 ADORA1 (0.37) GSK3AGSK3B
SCHEMBL3521775 0.83 GSK3B (0.36) GSK3AGSK3B
SCHEMBL5543505 0.83 GSK3A (0.36) GSK3AGSK3B
SCHEMBL5545504 0.83 GAA (0.43) GSK3AGSK3B
SCHEMBL5543665 0.82 GAA (0.40) GSK3AGSK3B
SCHEMBL5543598 0.81 HSD17B10 (0.43) 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-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed