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SCHEMBL30454879

SCHEMBL30454879

CC(Oc1nc(-c2ccc(C(=O)N3CCC(NC4CC4)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.61
▸ MAP4K3 Q8IVH8 1/20 0.55
▸ MAP4K2 Q12851 1/20 0.48
▸ MAP3K1 Q13233 1/20 0.48
▸ AAK1 Q2M2I8 1/20 0.48
▸ Q6ZSR9 Q6ZSR9 1/20 0.48
▸ MAP4K5 Q9Y4K4 1/20 0.48
▸ CHEK2 O96017 1/20 0.47

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
SCHEMBL488829 1.00 MET (0.61) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL488728 0.92 MET (0.55) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL30453768 0.92 MET (0.55) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL30453421 0.89 MET (0.75) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL488385 0.89 MET (0.75) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL489251 0.88 MET (0.64) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL30454392 0.88 MET (0.64) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL1900138 0.88 MAP4K3 (0.62) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL3243135 0.88 MAP4K3 (0.62) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL13276216 0.87 MET (0.56) METMAP4K3MAP4K2MAP3K1AAK1

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