SCHEMBL5806495

SCHEMBL5806495

OC1CCC(Nc2ncc(C(F)(F)F)c(NC3CCC(O)CC3)n2)CC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 15/20 0.76
▸ FLT3 P36888 3/20 0.65
▸ KIT P10721 2/20 0.65
▸ GSK3A P49840 1/20 0.62
▸ GSK3B P49841 1/20 0.62
▸ MAPK3 P27361 1/20 0.60
▸ ULK2 Q8IYT8 2/20 0.60

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
SCHEMBL17547453 0.93 ULK1 (0.88) ULK1ULK2
SCHEMBL17547443 0.87 ULK1 (1.00) ULK1ULK2
SCHEMBL28906657 0.84 FLT3 (0.57) ULK1FLT3KITGSK3AGSK3B
SCHEMBL28906656 0.84 FLT3 (0.57) ULK1FLT3KITGSK3AGSK3B
SCHEMBL28515708 0.83 FLT3 (0.71) ULK1FLT3KITULK2
SCHEMBL21258189 0.82 ULK1 (0.71) ULK1FLT3KITULK2
SCHEMBL1916412 0.81 FLT3 (0.67) ULK1FLT3KITULK2
SCHEMBL1916411 0.81 FLT3 (0.67) ULK1FLT3KITULK2
SCHEMBL1917489 0.81 ULK1 (0.70) ULK1FLT3KITMAPK3ULK2
SCHEMBL1917484 0.81 ULK1 (0.70) ULK1FLT3KITMAPK3ULK2

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-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 — — WO claimed
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