SCHEMBL30452813

SCHEMBL30452813

Nc1ncc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.58
MERTK Q12866 3/20 0.52
AXL P30530 2/20 0.52
ATR Q13535 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL3 Q96JM7 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
JAK2 O60674 1/20 0.46
MAP4K3 Q8IVH8 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BMPR1B O00238 2/20 0.43
BMPR1A P36894 2/20 0.43
TGFBR1 P36897 2/20 0.43
ACVRL1 P37023 2/20 0.43
ACVR1 Q04771 2/20 0.43
LRRK2 Q5S007 1/20 0.43
L3MBTL4 Q8NA19 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
SCHEMBL488047 1.00 MET (0.58) METMERTKAXLATRTDP1
SCHEMBL487992 0.91 MET (0.69) METMERTKAXLJAK2MAP4K3
SCHEMBL30453468 0.91 MET (0.69) METMERTKAXLJAK2MAP4K3
SCHEMBL487685 0.90 MET (0.57) METMERTKAXLJAK2MAP4K3
SCHEMBL30453422 0.90 MET (0.57) METMERTKAXLJAK2MAP4K3
SCHEMBL487691 0.87 MET (0.56) METMERTKAXLJAK2MAP4K3
SCHEMBL30453731 0.87 MET (0.56) METMERTKAXLJAK2MAP4K3
SCHEMBL487971 0.87 MET (0.56) METMERTKAXLJAK2MAP4K3
SCHEMBL30453464 0.87 MET (0.56) METMERTKAXLJAK2MAP4K3
SCHEMBL488097 0.87 ATR (0.56) METMERTKAXLATRTDP1

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