SCHEMBL19417865

SCHEMBL19417865

CN(C)[S+]([O-])c1ccc(Nc2cc(C(=O)Nc3cnccc3OCC(F)(F)F)ccn2)nc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 20/20 0.63
▸ GSK3A P49840 13/20 0.63
▸ MAPT P10636 8/20 0.61

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
SCHEMBL16702111 0.85 GSK3B (0.64) GSK3BGSK3AMAPT
SCHEMBL16702429 0.84 GSK3B (0.81) GSK3BGSK3AMAPT
SCHEMBL16702586 0.83 GSK3B (0.71) GSK3BGSK3AMAPT
SCHEMBL18089215 0.82 GSK3B (0.70) GSK3BGSK3AMAPT
SCHEMBL16703203 0.81 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL16702510 0.80 GSK3B (0.71) GSK3BGSK3AMAPT
SCHEMBL16702906 0.78 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL16703294 0.77 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL18089091 0.76 GSK3B (0.65) GSK3BGSK3AMAPT
SCHEMBL16710983 0.75 GSK3B (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
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