SCHEMBL30453600

SCHEMBL30453600

CC(Oc1cc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.71
JAK2 O60674 1/20 0.52
AXL P30530 1/20 0.50
MERTK Q12866 1/20 0.50
ATR Q13535 1/20 0.50
L3MBTL3 Q96JM7 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
LRRK2 Q5S007 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MBTD1 Q05BQ5 1/20 0.43

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
SCHEMBL487946 1.00 MET (0.71) METJAK2AXLMERTKATR
SCHEMBL487881 0.93 MET (0.81) METJAK2AXLMERTKATR
SCHEMBL30453513 0.93 MET (0.81) METJAK2AXLMERTKATR
SCHEMBL488529 0.92 MET (0.85) METJAK2AXLMERTKLRRK2
SCHEMBL30453639 0.92 MET (0.85) METJAK2AXLMERTKLRRK2
SCHEMBL488346 0.88 MET (0.57) METJAK2
SCHEMBL488387 0.88 MET (0.57) METJAK2
SCHEMBL30454123 0.88 MET (0.57) METJAK2
SCHEMBL488579 0.88 MET (0.57) METJAK2
SCHEMBL30453801 0.88 MET (0.57) METJAK2

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