SCHEMBL30454119

SCHEMBL30454119

CN(C)[C@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)c3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.63
ATR Q13535 6/20 0.48
JAK2 O60674 1/20 0.45
MAP4K3 Q8IVH8 1/20 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
SCHEMBL487662 1.00 MET (0.63) METATRJAK2MAP4K3
SCHEMBL487877 0.92 MET (0.53) METATRJAK2MAP4K3
SCHEMBL30453708 0.92 MET (0.53) METATRJAK2MAP4K3
SCHEMBL30453881 0.91 MET (0.64) METATR
SCHEMBL487996 0.91 MET (0.64) METATR
SCHEMBL10316727 0.89 MET (0.66) METJAK2MAP4K3
SCHEMBL30452989 0.89 MET (0.66) METJAK2MAP4K3
SCHEMBL488021 0.89 MET (0.66) METJAK2MAP4K3
SCHEMBL487983 0.89 MET (0.66) METJAK2MAP4K3
SCHEMBL30452806 0.89 MET (0.66) 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