SCHEMBL17586407

SCHEMBL17586407

Nc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)I)cn3C1(CCCC1)CCO2

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.87

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
SCHEMBL8106175 0.93 GSK3B (1.00) GSK3B
SCHEMBL8093215 0.92 GSK3B (0.89) GSK3B
SCHEMBL1186210 0.92 GSK3B (1.00) GSK3B
SCHEMBL1187995 0.91 GSK3B (0.87) GSK3B
SCHEMBL8100177 0.90 GSK3B (0.86) GSK3B
SCHEMBL8091819 0.90 GSK3B (1.00) GSK3B
SCHEMBL12889246 0.90 GSK3B (0.85) GSK3B
SCHEMBL17586344 0.90 GSK3B (0.73) GSK3B
SCHEMBL1186244 0.86 GSK3B (1.00) GSK3B
SCHEMBL1186150 0.86 GSK3B (0.83) 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
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 EP disclosed