SCHEMBL30452830

SCHEMBL30452830

CC(Oc1nc(-c2cncc(C(=O)NCCN3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.59
ALK Q9UM73 4/20 0.50
INPPL1 O15357 1/20 0.47
MAP4K3 Q8IVH8 1/20 0.47
MAP4K4 O95819 2/20 0.45

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
SCHEMBL488251 1.00 MET (0.59) METALKINPPL1MAP4K3MAP4K4
SCHEMBL488904 0.96 MET (0.54) METALKINPPL1MAP4K3
SCHEMBL30454668 0.96 MET (0.54) METALKINPPL1MAP4K3
SCHEMBL30452825 0.93 MET (0.60) METALKMAP4K3MAP4K4
SCHEMBL487974 0.93 MET (0.60) METALKMAP4K3MAP4K4
SCHEMBL488802 0.92 MET (0.66) METALKMAP4K3
SCHEMBL30454806 0.92 MET (0.66) METALKMAP4K3
SCHEMBL488272 0.89 MET (0.55) METALKMAP4K3MAP4K4
SCHEMBL30454831 0.89 MET (0.55) METALKMAP4K3MAP4K4
SCHEMBL488825 0.88 MET (0.54) METALKMAP4K4

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