SCHEMBL30452853

SCHEMBL30452853

CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1ccc(C(N)=O)c(CCc2c(Cl)cccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.61
MERTK Q12866 4/20 0.45
AXL P30530 3/20 0.45
JAK2 O60674 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ATR Q13535 1/20 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
SCHEMBL488874 1.00 MET (0.61) METMERTKAXLJAK2HRH3
SCHEMBL487976 0.89 MET (0.55) METMERTKAXLATR
SCHEMBL30453810 0.89 MET (0.55) METMERTKAXLATR
SCHEMBL488875 0.85 MET (0.62) METMERTKAXLATR
SCHEMBL5258519 0.84 MET (0.61) METMERTKAXLATR
SCHEMBL30453096 0.84 MET (0.54) METMERTKAXLATR
SCHEMBL488368 0.84 MET (0.54) METMERTKAXLATR
SCHEMBL487881 0.83 MET (0.81) METMERTKAXLJAK2ATR
SCHEMBL30453513 0.83 MET (0.81) METMERTKAXLJAK2ATR
SCHEMBL5255609 0.81 MET (0.70) METMERTKAXLJAK2ATR

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