SCHEMBL28638875

SCHEMBL28638875

Cn1cc(-c2cccc(Sc3cnc(COC(N)=O)s3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.46
IRAK4 Q9NWZ3 1/20 0.40
LOXL3 P58215 2/20 0.39
SYK P43405 1/20 0.37
FLT3 P36888 1/20 0.37
NEK2 P51955 1/20 0.37
AXL P30530 5/20 0.37
MERTK Q12866 5/20 0.37
AOC3 Q16853 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL19259726 0.85 LOXL2 (0.49) LOXL2LOXL3AXLMERTKAOC3
SCHEMBL19259767 0.85 LOXL2 (0.48) LOXL2LOXL3AXLMERTKAOC3
SCHEMBL19259897 0.84 LOXL2 (0.51) LOXL2
SCHEMBL20983582 0.84 LOXL2 (0.38) LOXL2IRAK4AXLMERTK
SCHEMBL20983564 0.82 LOXL2 (0.45) LOXL2IRAK4LOXL3
SCHEMBL19274598 0.79 IRAK1 (0.46) LOXL2IRAK4
SCHEMBL29970064 0.79 IRAK1 (0.46) LOXL2IRAK4
SCHEMBL28645865 0.79 LOXL2 (0.40) LOXL2LOXL3
SCHEMBL28644238 0.78 LOXL2 (0.41) LOXL2LOXL3
SCHEMBL28663602 0.76 SIRT2 (0.44) LOXL2LOXL3AOC3

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
CN-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 CN disclosed