SCHEMBL30453706

SCHEMBL30453706

Nc1ncc(-c2ccccn2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.46
JAK2 O60674 2/20 0.46
MAP4K3 Q8IVH8 2/20 0.46
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
PPP1CA P62136 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHEK2 O96017 1/20 0.39
MAP4K4 O95819 1/20 0.38
ALK Q9UM73 1/20 0.37

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
SCHEMBL488033 1.00 MET (0.46) METJAK2MAP4K3NPC1HTT
SCHEMBL487679 0.86 MET (0.57) METJAK2MAP4K3MAP4K4ALK
SCHEMBL488238 0.83 MET (0.66) METMAP4K3NPC1HTTPPP1CA
SCHEMBL30453970 0.83 MET (0.66) METMAP4K3NPC1HTTPPP1CA
SCHEMBL488295 0.82 MET (0.52) METJAK2MAP4K3MAP4K4ALK
SCHEMBL30452799 0.82 MET (0.52) METJAK2MAP4K3MAP4K4ALK
SCHEMBL487842 0.82 JAK2 (0.60) METJAK2MAP4K3CHEK2
SCHEMBL30453168 0.82 JAK2 (0.60) METJAK2MAP4K3CHEK2
SCHEMBL488281 0.81 MAP4K3 (0.49) METMAP4K3NPC1HTTSMN1; SMN2
SCHEMBL30454994 0.81 MAP4K3 (0.49) METMAP4K3NPC1HTTSMN1; SMN2

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