SCHEMBL8100522

SCHEMBL8100522

NCCNc1c(F)c(N)c2c(=O)c(C(=O)O)cn3c2c1OCC31CCCC1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.75

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
SCHEMBL8099319 0.93 GSK3B (0.75) GSK3B
SCHEMBL12873995 0.90 GSK3B (0.71) GSK3B
SCHEMBL8084992 0.88 GSK3B (0.75) GSK3B
SCHEMBL8091849 0.88 GSK3B (0.78) GSK3B
SCHEMBL1185915 0.87 GSK3B (0.72) GSK3B
SCHEMBL1186415 0.87 GSK3B (0.70) GSK3B
SCHEMBL8090206 0.87 GSK3B (0.68) GSK3B
SCHEMBL17586332 0.86 GSK3B (0.67) GSK3B
SCHEMBL1186244 0.86 GSK3B (1.00) GSK3B
SCHEMBL1186828 0.85 GSK3B (0.68) GSK3B

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
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 WO disclosed