SCHEMBL30454885

SCHEMBL30454885

Nc1ncc(-c2cccc3[nH]ccc23)cc1OCc1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.42
JAK2 O60674 3/20 0.42
ATR Q13535 1/20 0.41
PIK3CD O00329 4/20 0.40
PIK3CB P42338 3/20 0.40
TRPA1 O75762 1/20 0.39
PIK3CG P48736 2/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ASH1L Q9NR48 1/20 0.39
HPGDS O60760 3/20 0.39
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
DHFR P00374 1/20 0.36
PIK3CA P42336 1/20 0.36
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 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
SCHEMBL487593 1.00 MET (0.42) METJAK2ATRPIK3CDPIK3CB
SCHEMBL487584 0.87 MET (0.58) METJAK2ATRPIK3CDPIK3CB
SCHEMBL30452748 0.87 MET (0.58) METJAK2ATRPIK3CDPIK3CB
SCHEMBL487645 0.85 MET (0.54) METJAK2ATRPIK3CDPIK3CB
SCHEMBL30453292 0.85 MET (0.54) METJAK2ATRPIK3CDPIK3CB
SCHEMBL487796 0.76 MET (0.57) METJAK2MAP4K3
Water SCHEMBL28122580 0.75 MET (0.56) METJAK2MAP4K3
SCHEMBL30452529 0.74 MET (0.73) MET
SCHEMBL487592 0.74 MET (0.73) MET
SCHEMBL487729 0.74 MET (0.65) METJAK2MAP4K3

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed