SCHEMBL16704165

SCHEMBL16704165

CC(C)CNc1cc(C(=O)Nc2cnccc2-c2ccccc2)ccn1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 20/20 0.74
▸ MAPT P10636 11/20 0.74
▸ GSK3A P49840 9/20 0.66

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
SCHEMBL16704164 0.85 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL16703061 0.84 GSK3B (0.78) GSK3BMAPTGSK3A
SCHEMBL16702347 0.81 GSK3B (0.73) GSK3BMAPTGSK3A
SCHEMBL16702223 0.81 GSK3B (0.79) GSK3BMAPTGSK3A
SCHEMBL19185941 0.80 GSK3B (0.66) GSK3BMAPTGSK3A
SCHEMBL18107523 0.80 GSK3B (0.72) GSK3BMAPTGSK3A
SCHEMBL16704224 0.79 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL16702958 0.79 GSK3B (0.79) GSK3BMAPTGSK3A
SCHEMBL16702208 0.78 GSK3B (0.75) GSK3BMAPTGSK3A
SCHEMBL16703848 0.78 GSK3B (0.67) GSK3BMAPTGSK3A

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-3066092-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP disclosed
WO-2015069593-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO disclosed
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