SCHEMBL30454797

SCHEMBL30454797

CC(Oc1nc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.57
MET P08581 5/20 0.55
CHEK2 O96017 1/20 0.51
L3MBTL3 Q96JM7 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LRRK2 Q5S007 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AXL P30530 1/20 0.45
MERTK Q12866 1/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.42

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
SCHEMBL488389 1.00 ATR (0.57) ATRMETCHEK2L3MBTL3L3MBTL1
SCHEMBL30453101 0.93 MET (0.60) ATRMETCHEK2L3MBTL3L3MBTL1
SCHEMBL488665 0.93 MET (0.60) ATRMETCHEK2L3MBTL3L3MBTL1
SCHEMBL488521 0.92 MET (0.68) ATRMETCHEK2MAP4K3
SCHEMBL488679 0.90 MET (0.61) ATRMETCHEK2L3MBTL3L3MBTL1
SCHEMBL488713 0.87 MET (0.50) ATRMETCHEK2MAP4K3
SCHEMBL10216401 0.87 MET (0.50) ATRMETCHEK2MAP4K3
SCHEMBL30453644 0.87 MET (0.50) ATRMETCHEK2MAP4K3
SCHEMBL488710 0.87 MET (0.50) ATRMETCHEK2MAP4K3
SCHEMBL489049 0.87 ATR (0.55) ATRMETCHEK2L3MBTL1LRRK2

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