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Sugi Predict / Compounds / SCHEMBL30453370

SCHEMBL30453370

SCHEMBL30453370

CC(Oc1cc(-c2ccc(NC(=O)NC3CCN(C)CC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.56
▸ ALK Q9UM73 9/20 0.53
▸ AXL P30530 1/20 0.51
▸ MAP4K2 Q12851 1/20 0.49
▸ MAP3K1 Q13233 1/20 0.49
▸ AAK1 Q2M2I8 1/20 0.49
▸ Q6ZSR9 Q6ZSR9 1/20 0.49
▸ MAP4K5 Q9Y4K4 1/20 0.49
▸ JAK2 O60674 1/20 0.49

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
SCHEMBL488738 1.00 MET (0.56) METALKAXLMAP4K2MAP3K1
SCHEMBL488156 0.95 MET (0.60) METALKAXLMAP4K2MAP3K1
SCHEMBL30454658 0.95 MET (0.60) METALKAXLMAP4K2MAP3K1
SCHEMBL488450 0.89 MET (0.65) METALKAXLMAP4K2MAP3K1
SCHEMBL30453117 0.89 MET (0.65) METALKAXLMAP4K2MAP3K1
SCHEMBL30453113 0.86 ALK (0.57) METALKAXLMAP4K2MAP3K1
SCHEMBL488650 0.86 ALK (0.57) METALKAXLMAP4K2MAP3K1
SCHEMBL30454106 0.85 MET (0.52) METALKAXLMAP4K2MAP3K1
SCHEMBL488783 0.85 MET (0.52) METALKAXLMAP4K2MAP3K1
SCHEMBL488320 0.85 MET (0.72) METALKAXLMAP4K2MAP3K1

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