SCHEMBL30452825

SCHEMBL30452825

CC(Oc1nc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.60
ALK Q9UM73 2/20 0.51
MAP4K4 O95819 2/20 0.50
PIK3CD O00329 1/20 0.47
PIK3CG P48736 1/20 0.47
MAP4K3 Q8IVH8 1/20 0.47
ATR Q13535 2/20 0.47
GRK5 P34947 1/20 0.46
CHEK2 O96017 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL487974 1.00 MET (0.60) METALKMAP4K4PIK3CDPIK3CG
SCHEMBL30454831 0.96 MET (0.55) METALKMAP4K4PIK3CDPIK3CG
SCHEMBL488272 0.96 MET (0.55) METALKMAP4K4PIK3CDPIK3CG
SCHEMBL30453544 0.96 MET (0.54) METALKMAP4K4PIK3CDPIK3CG
SCHEMBL488825 0.96 MET (0.54) METALKMAP4K4PIK3CDPIK3CG
SCHEMBL30453345 0.94 MET (0.68) METMAP4K4MAP4K3ATRCHEK2
SCHEMBL488463 0.94 MET (0.68) METMAP4K4MAP4K3ATRCHEK2
SCHEMBL30452830 0.93 MET (0.59) METALKMAP4K4MAP4K3
SCHEMBL488251 0.93 MET (0.59) METALKMAP4K4MAP4K3
SCHEMBL488802 0.92 MET (0.66) METALKMAP4K3CHEK2

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