SCHEMBL30452741

SCHEMBL30452741

Nc1ncc(-c2cccc(OC(F)(F)F)c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.63
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATR Q13535 1/20 0.41
MAP4K4 O95819 1/20 0.41
XDH P47989 1/20 0.41
FYN P06241 3/20 0.40
KCNH2 Q12809 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MPO P05164 1/20 0.40
JAK2 O60674 2/20 0.40
MAP4K3 Q8IVH8 1/20 0.40
IGF1R P08069 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL488173 1.00 MET (0.63) METPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30454973 0.85 MET (0.67) METPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL488061 0.85 MET (0.67) METPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL487619 0.83 MET (0.71) METMEN1KMT2AMAP4K4FYN
SCHEMBL30452558 0.83 MET (0.71) METMEN1KMT2AMAP4K4FYN
SCHEMBL487806 0.82 MET (0.60) METJAK2MAP4K3
SCHEMBL30454267 0.82 MET (0.60) METJAK2MAP4K3
SCHEMBL487572 0.82 MET (0.73) METPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL487907 0.82 MET (0.81) METPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30454723 0.81 MET (0.79) METPIK3CDPIK3CAPIK3CBPIK3CG

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