SCHEMBL30453041

SCHEMBL30453041

CC(Oc1nc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.68
ATR Q13535 2/20 0.51
MAP4K3 Q8IVH8 1/20 0.50
CHEK2 O96017 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41

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
SCHEMBL488682 1.00 MET (0.68) METATRMAP4K3CHEK2L3MBTL1
SCHEMBL30453421 0.95 MET (0.75) METATRMAP4K3CHEK2
SCHEMBL488385 0.95 MET (0.75) METATRMAP4K3CHEK2
SCHEMBL488679 0.92 MET (0.61) METATRMAP4K3CHEK2L3MBTL1
SCHEMBL488665 0.88 MET (0.60) METATRMAP4K3CHEK2L3MBTL1
SCHEMBL30453101 0.88 MET (0.60) METATRMAP4K3CHEK2L3MBTL1
SCHEMBL488688 0.88 KCNH2 (0.55) METATRMAP4K3CHEK2
SCHEMBL488690 0.88 KCNH2 (0.55) METATRMAP4K3CHEK2
SCHEMBL30452472 0.88 KCNH2 (0.55) METATRMAP4K3CHEK2
SCHEMBL488521 0.88 MET (0.68) METATRMAP4K3CHEK2

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