SCHEMBL30452799

SCHEMBL30452799

Nc1ncc(-c2ccncc2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.52
JAK2 O60674 3/20 0.51
MAP4K3 Q8IVH8 2/20 0.51
MAP4K4 O95819 1/20 0.40
ALK Q9UM73 2/20 0.39

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
SCHEMBL488295 1.00 MET (0.52) METJAK2MAP4K3MAP4K4ALK
SCHEMBL487679 0.89 MET (0.57) METJAK2MAP4K3MAP4K4ALK
SCHEMBL3122066 0.89 MET (0.56) METJAK2MAP4K3MAP4K4ALK
SCHEMBL488590 0.88 JAK2 (0.51) METJAK2MAP4K3ALK
SCHEMBL30453168 0.87 JAK2 (0.60) METJAK2MAP4K3
SCHEMBL487842 0.87 JAK2 (0.60) METJAK2MAP4K3
SCHEMBL28756897 0.87 MET (0.51) METJAK2MAP4K3MAP4K4ALK
SCHEMBL488147 0.85 MET (0.52) METJAK2MAP4K3MAP4K4
SCHEMBL30453038 0.85 MET (0.52) METJAK2MAP4K3MAP4K4
SCHEMBL27630181 0.84 MET (0.51) METJAK2MAP4K3MAP4K4ALK

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