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SCHEMBL30452808

SCHEMBL30452808

CCN1CCN(C(=O)c2ccc(-c3cnc(N)c(OC(C)c4c(Cl)ccc(F)c4Cl)c3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.74
▸ ALK Q9UM73 3/20 0.61
▸ JAK2 O60674 1/20 0.58
▸ MAP4K2 Q12851 1/20 0.57
▸ MAP3K1 Q13233 1/20 0.57
▸ AAK1 Q2M2I8 1/20 0.57
▸ Q6ZSR9 Q6ZSR9 1/20 0.57
▸ MAP4K5 Q9Y4K4 1/20 0.57
▸ AXL P30530 1/20 0.56

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
SCHEMBL488093 1.00 MET (0.74) METALKJAK2MAP4K2MAP3K1
SCHEMBL30453164 0.95 MET (0.68) METALKJAK2MAP4K2MAP3K1
SCHEMBL488342 0.95 MET (0.68) METALKJAK2MAP4K2MAP3K1
SCHEMBL10216671 0.94 MET (0.72) METALKJAK2MAP4K2MAP3K1
SCHEMBL14492823 0.93 MET (0.65) METALKJAK2MAP4K2MAP3K1
SCHEMBL3114941 0.91 MET (0.78) METALKJAK2MAP4K2MAP3K1
SCHEMBL487718 0.91 MET (0.78) METALKJAK2MAP4K2MAP3K1
SCHEMBL30452512 0.91 MET (0.78) METALKJAK2MAP4K2MAP3K1
SCHEMBL10216566 0.91 MET (0.69) METALKJAK2MAP4K2MAP3K1
SCHEMBL30454037 0.91 MET (0.85) METALKJAK2

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