SCHEMBL19186033

SCHEMBL19186033

C=N/C(=C\C=C(/C)C(F)(F)F)Nc1cc(C(=O)Nc2cnccc2OCC(F)(F)F)ccn1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 20/20 0.66
▸ MAPT P10636 9/20 0.66
▸ GSK3A P49840 12/20 0.63

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
SCHEMBL19185978 0.86 GSK3B (0.57) GSK3BMAPTGSK3A
SCHEMBL19186441 0.84 GSK3B (0.67) GSK3BMAPTGSK3A
SCHEMBL19186362 0.82 GSK3B (0.43) GSK3BMAPTGSK3A
SCHEMBL16703294 0.80 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL16710983 0.78 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL19186312 0.76 MAPT (0.67) GSK3BMAPTGSK3A
SCHEMBL19185942 0.76 MAPT (0.67) GSK3BMAPTGSK3A
SCHEMBL16702397 0.75 GSK3B (0.68) GSK3BMAPTGSK3A
SCHEMBL16702429 0.74 GSK3B (0.81) GSK3BMAPTGSK3A
SCHEMBL16702586 0.74 GSK3B (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
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