SCHEMBL30453222

SCHEMBL30453222

Nc1ncc(-c2ccccc2)cc1OCc1c(F)ccc(Cl)c1F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.57
JAK2 O60674 5/20 0.53
MAP4K3 Q8IVH8 2/20 0.48
MAP4K4 O95819 2/20 0.47
ALK Q9UM73 1/20 0.42
FYN P06241 1/20 0.40

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
SCHEMBL487861 1.00 MET (0.57) METJAK2MAP4K3MAP4K4ALK
SCHEMBL487622 0.90 MET (0.52) METJAK2MAP4K3MAP4K4FYN
SCHEMBL487679 0.88 MET (0.57) METJAK2MAP4K3MAP4K4ALK
SCHEMBL488145 0.87 MET (0.68) METJAK2MAP4K3MAP4K4
SCHEMBL488409 0.86 MET (0.48) METJAK2MAP4K3MAP4K4FYN
SCHEMBL487796 0.85 MET (0.57) METJAK2MAP4K3MAP4K4FYN
SCHEMBL487559 0.84 MET (0.53) METJAK2MAP4K3MAP4K4ALK
Water SCHEMBL28122580 0.84 MET (0.56) METJAK2MAP4K3MAP4K4FYN
SCHEMBL487907 0.82 MET (0.81) METJAK2MAP4K3MAP4K4FYN
SCHEMBL21844366 0.81 MET (0.43) 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