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SCHEMBL30454460

SCHEMBL30454460

CC(Oc1cc(-c2cncc(C(=O)N3CCN(C)CC3)c2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 13/20 0.59
▸ ALK Q9UM73 6/20 0.58
▸ MAP4K2 Q12851 1/20 0.56
▸ MAP3K1 Q13233 1/20 0.56
▸ AAK1 Q2M2I8 1/20 0.56
▸ Q6ZSR9 Q6ZSR9 1/20 0.56
▸ MAP4K5 Q9Y4K4 1/20 0.56
▸ JAK2 O60674 2/20 0.55
▸ AXL P30530 1/20 0.52

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
SCHEMBL488742 1.00 MET (0.59) METALKMAP4K2MAP3K1AAK1
SCHEMBL488089 0.95 MET (0.66) METALKMAP4K2MAP3K1AAK1
SCHEMBL30453790 0.95 MET (0.66) METALKMAP4K2MAP3K1AAK1
SCHEMBL30453007 0.92 MET (0.70) METALKMAP4K2MAP3K1AAK1
SCHEMBL488134 0.92 MET (0.70) METALKMAP4K2MAP3K1AAK1
SCHEMBL30453559 0.91 MET (0.59) METALKMAP4K2MAP3K1AAK1
SCHEMBL488518 0.91 MET (0.59) METALKMAP4K2MAP3K1AAK1
SCHEMBL30454827 0.89 MET (0.59) METALKMAP4K2MAP3K1AAK1
SCHEMBL488678 0.89 MET (0.59) METALKMAP4K2MAP3K1AAK1
SCHEMBL30452619 0.88 MET (0.57) METALKMAP4K2MAP3K1AAK1

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