SCHEMBL4550343

SCHEMBL4550343

Bc1cc(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)cnc1OCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.60
GSK3A P49840 12/20 0.60
MAPT P10636 8/20 0.52

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
SCHEMBL2714338 0.90 GSK3B (0.61) GSK3BGSK3AMAPT
SCHEMBL2714022 0.89 GSK3B (0.60) GSK3BGSK3AMAPT
SCHEMBL2715347 0.89 GSK3B (0.60) GSK3BGSK3AMAPT
SCHEMBL2715162 0.89 GSK3B (0.60) GSK3BGSK3AMAPT
SCHEMBL2716040 0.89 GSK3B (0.59) GSK3BGSK3AMAPT
SCHEMBL2715257 0.87 GSK3B (0.59) GSK3BGSK3AMAPT
SCHEMBL2717126 0.84 GSK3B (0.60) GSK3BGSK3AMAPT
SCHEMBL4550351 0.84 GSK3B (0.45) GSK3BGSK3AMAPT
SCHEMBL2716035 0.82 GSK3B (0.59) GSK3BGSK3AMAPT
SCHEMBL18266287 0.81 GSK3B (0.56) GSK3BGSK3AMAPT

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-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed