SCHEMBL30453513

SCHEMBL30453513

CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.81
JAK2 O60674 1/20 0.53
MERTK Q12866 3/20 0.49
AXL P30530 2/20 0.49
LRRK2 Q5S007 1/20 0.47
ATR Q13535 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL487881 1.00 MET (0.81) METJAK2MERTKAXLLRRK2
SCHEMBL488729 0.95 MET (0.83) METJAK2MERTKAXL
SCHEMBL30453919 0.95 MET (0.83) METJAK2MERTKAXL
SCHEMBL487946 0.93 MET (0.71) METJAK2MERTKAXLLRRK2
SCHEMBL30453600 0.93 MET (0.71) METJAK2MERTKAXLLRRK2
SCHEMBL5256618 0.91 MET (0.86) METJAK2MERTKAXLLRRK2
SCHEMBL30452784 0.90 MET (1.00) METJAK2MERTKAXLLRRK2
SCHEMBL487888 0.90 MET (1.00) METJAK2MERTKAXLLRRK2
SCHEMBL30452768 0.89 MET (0.82) METJAK2MERTKAXLLRRK2
SCHEMBL488487 0.89 MET (0.82) METJAK2MERTKAXLLRRK2

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