SCHEMBL30453038

SCHEMBL30453038

Nc1ccc(-c2cnc(N)c(OCc3c(F)ccc(F)c3Cl)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.52
JAK2 O60674 2/20 0.51
MAP4K3 Q8IVH8 1/20 0.51
MAP4K4 O95819 2/20 0.48
CYP1A2 P05177 1/20 0.48
KCNH2 Q12809 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
TNIK Q9UKE5 1/20 0.48
INPPL1 O15357 3/20 0.44
PIK3CD O00329 3/20 0.43
LTA4H P09960 1/20 0.41

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
SCHEMBL488147 1.00 MET (0.52) METJAK2MAP4K3MAP4K4CYP1A2
SCHEMBL3122066 0.89 MET (0.56) METJAK2MAP4K3MAP4K4
SCHEMBL487679 0.86 MET (0.57) METJAK2MAP4K3MAP4K4
SCHEMBL488590 0.85 JAK2 (0.51) METJAK2MAP4K3INPPL1
SCHEMBL488295 0.85 MET (0.52) METJAK2MAP4K3MAP4K4
SCHEMBL30452799 0.85 MET (0.52) METJAK2MAP4K3MAP4K4
SCHEMBL487842 0.85 JAK2 (0.60) METJAK2MAP4K3
SCHEMBL30453168 0.85 JAK2 (0.60) METJAK2MAP4K3
SCHEMBL28756897 0.84 MET (0.51) METJAK2MAP4K3MAP4K4
SCHEMBL27630181 0.84 MET (0.51) METJAK2MAP4K3MAP4K4

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