SCHEMBL28657124

SCHEMBL28657124

COc1cc(Sc2cnc(COC(N)=O)s2)cc(-c2cnn(C3CC3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.52
MAP4K3 Q8IVH8 3/20 0.37
FGFR1 P11362 5/20 0.34
FGFR2 P21802 5/20 0.34
FGFR3 P22607 5/20 0.34
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
LOXL3 P58215 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALK Q9UM73 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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 0.89 LOXL2 (0.49) LOXL2FGFR1FGFR2FGFR3LOXL3
SCHEMBL28639354 0.86 LOXL2 (0.51) LOXL2FGFR1FGFR2FGFR3LOXL3
SCHEMBL28660990 0.85 LOXL2 (0.51) LOXL2FGFR1LOXL3
SCHEMBL19259611 0.84 LOXL2 (0.50) LOXL2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL28657644 0.82 LOXL2 (0.78) LOXL2LOXL3KCNH2
SCHEMBL19274480 0.81 LOXL2 (0.47) LOXL2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL29971042 0.81 LOXL2 (0.47) LOXL2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL28639341 0.77 ICAM1 (0.35) LOXL2LOXL3
SCHEMBL19259767 0.77 LOXL2 (0.48) LOXL2LOXL3KCNH2
SCHEMBL28638875 0.75 LOXL2 (0.46) LOXL2LOXL3PIK3CDPIK3CAPIK3CB

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