SCHEMBL30453468

SCHEMBL30453468

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.69
MERTK Q12866 3/20 0.51
AXL P30530 2/20 0.49
JAK2 O60674 1/20 0.47
MAP4K3 Q8IVH8 1/20 0.47
ALK Q9UM73 1/20 0.46
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL487992 1.00 MET (0.69) METMERTKAXLJAK2MAP4K3
SCHEMBL10217514 0.92 MET (0.62) METMERTKAXL
SCHEMBL488047 0.91 MET (0.58) METMERTKAXLJAK2MAP4K3
SCHEMBL30452813 0.91 MET (0.58) METMERTKAXLJAK2MAP4K3
SCHEMBL30453045 0.90 MET (0.62) METMERTKAXL
SCHEMBL487552 0.90 MET (0.62) METMERTKAXL
SCHEMBL30454369 0.90 MET (0.68) METJAK2MAP4K3
SCHEMBL488261 0.90 MET (0.68) METJAK2MAP4K3
SCHEMBL14631905 0.89 MET (0.70) METMERTKJAK2MAP4K3LRRK2
SCHEMBL10217763 0.89 MET (0.61) METMERTKAXL

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