SCHEMBL8094762

SCHEMBL8094762

Nc1c(F)c(NCCCc2ccccn2)c2c3c1c(=O)c(C(=O)O)cn3C1(CC1)CO2

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.76

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
SCHEMBL1186424 0.97 GSK3B (0.81) GSK3B
SCHEMBL8101471 0.95 GSK3B (0.80) GSK3B
SCHEMBL8095135 0.94 GSK3B (0.67) GSK3B
SCHEMBL1186600 0.94 GSK3B (0.69) GSK3B
SCHEMBL12874188 0.92 GSK3B (0.72) GSK3B
SCHEMBL12874295 0.91 GSK3B (0.72) GSK3B
SCHEMBL12874191 0.91 GSK3B (0.81) GSK3B
SCHEMBL12874424 0.89 GSK3B (0.59) GSK3B
SCHEMBL8093162 0.88 GSK3B (0.61) GSK3B
SCHEMBL12874337 0.88 GSK3B (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 WO disclosed