SCHEMBL30454715

SCHEMBL30454715

CC(Oc1cc(OCc2ccccc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.60
ALK Q9UM73 4/20 0.54
JAK2 O60674 2/20 0.52

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
SCHEMBL488115 1.00 MET (0.60) METALKJAK2
SCHEMBL30452831 0.91 MET (0.54) METALKJAK2
SCHEMBL488722 0.91 MET (0.54) METALKJAK2
SCHEMBL487972 0.90 MET (0.58) METALKJAK2
SCHEMBL30453625 0.90 MET (0.58) METALKJAK2
SCHEMBL488905 0.87 MET (0.55) METALKJAK2
SCHEMBL30452837 0.87 MET (0.55) METALKJAK2
SCHEMBL30453574 0.85 MET (0.59) METALKJAK2
SCHEMBL488072 0.85 MET (0.59) METALKJAK2
SCHEMBL488571 0.84 MET (0.58) METALKJAK2

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