SCHEMBL30454831

SCHEMBL30454831

CC(Oc1nc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.55
ALK Q9UM73 3/20 0.49
MAP4K3 Q8IVH8 1/20 0.48
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.44
GAA P10253 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL488272 1.00 MET (0.55) METALKMAP4K3MAP4K4CHEK2
SCHEMBL487974 0.96 MET (0.60) METALKMAP4K3MAP4K4CHEK2
SCHEMBL30452825 0.96 MET (0.60) METALKMAP4K3MAP4K4CHEK2
SCHEMBL30453330 0.94 MET (0.62) METMAP4K3MAP4K4CHEK2
SCHEMBL488485 0.94 MET (0.62) METMAP4K3MAP4K4CHEK2
SCHEMBL30454668 0.93 MET (0.54) METALKMAP4K3
SCHEMBL488904 0.93 MET (0.54) METALKMAP4K3
SCHEMBL488825 0.92 MET (0.54) METALKMAP4K4CHEK2PIK3CD
SCHEMBL30453544 0.92 MET (0.54) METALKMAP4K4CHEK2PIK3CD
SCHEMBL30453345 0.90 MET (0.68) METMAP4K3MAP4K4CHEK2

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