SCHEMBL30453101

SCHEMBL30453101

CC(Oc1nc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.60
CHEK2 O96017 1/20 0.57
ATR Q13535 5/20 0.55
CSF1R P07333 2/20 0.49
LRRK2 Q5S007 1/20 0.44
L3MBTL3 Q96JM7 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MBTD1 Q05BQ5 4/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.43
PRKDC P78527 1/20 0.43
AXL P30530 1/20 0.43
MERTK Q12866 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
SCHEMBL488665 1.00 MET (0.60) METCHEK2ATRCSF1RLRRK2
SCHEMBL488389 0.93 ATR (0.57) METCHEK2ATRLRRK2L3MBTL3
SCHEMBL30454797 0.93 ATR (0.57) METCHEK2ATRLRRK2L3MBTL3
SCHEMBL30453421 0.90 MET (0.75) METCHEK2ATRMAP4K3
SCHEMBL488385 0.90 MET (0.75) METCHEK2ATRMAP4K3
SCHEMBL30453041 0.88 MET (0.68) METCHEK2ATRL3MBTL3L3MBTL1
SCHEMBL488682 0.88 MET (0.68) METCHEK2ATRL3MBTL3L3MBTL1
SCHEMBL488516 0.87 MET (0.56) METCHEK2ATRCSF1RMAP4K3
SCHEMBL10216384 0.87 MET (0.56) METCHEK2ATRCSF1RMAP4K3
SCHEMBL30453413 0.87 MET (0.56) METCHEK2ATRCSF1RMAP4K3

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