SCHEMBL19186441

SCHEMBL19186441

C=N/C(=C\C=C(/C)C(F)(F)F)Nc1cc(C(=O)Nc2cnccc2OCCN2CCOCC2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 17/20 0.67
▸ MAPT P10636 9/20 0.67
▸ GSK3A P49840 8/20 0.47
▸ ATR Q13535 1/20 0.45
▸ ABL1 P00519 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41

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 0.94 GSK3B (0.57) GSK3BMAPTGSK3A
SCHEMBL19186033 0.84 GSK3B (0.66) GSK3BMAPTGSK3A
SCHEMBL16704301 0.80 GSK3B (1.00) GSK3BMAPTGSK3AATR
SCHEMBL19185942 0.79 MAPT (0.67) GSK3BMAPTGSK3A
SCHEMBL19186312 0.79 MAPT (0.67) GSK3BMAPTGSK3A
SCHEMBL16702498 0.78 GSK3B (0.68) GSK3BMAPTGSK3AATRABL1
SCHEMBL18089233 0.76 GSK3B (0.69) GSK3BMAPTGSK3AATRABL1
SCHEMBL19186362 0.75 GSK3B (0.43) GSK3BMAPTGSK3A
SCHEMBL16703325 0.73 GSK3B (0.85) GSK3BMAPTGSK3A
SCHEMBL16702874 0.71 GSK3B (0.61) GSK3BMAPTGSK3AHTR2AHTR2C

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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