SCHEMBL30454079

SCHEMBL30454079

CC(Oc1cc(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.76
MAP4K2 Q12851 1/20 0.65
MAP3K1 Q13233 1/20 0.65
AAK1 Q2M2I8 1/20 0.65
Q6ZSR9 Q6ZSR9 1/20 0.65
MAP4K5 Q9Y4K4 1/20 0.65
ALK Q9UM73 5/20 0.64
AXL P30530 1/20 0.59
JAK2 O60674 1/20 0.57

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
SCHEMBL488577 1.00 MET (0.76) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL487718 0.97 MET (0.78) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL30452512 0.97 MET (0.78) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL30454037 0.94 MET (0.85) METALKJAK2
SCHEMBL488459 0.94 MET (0.85) METALKJAK2
SCHEMBL30453972 0.93 MET (0.84) METALKJAK2
SCHEMBL488837 0.93 MET (0.84) METALKJAK2
SCHEMBL30453007 0.92 MET (0.70) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL488134 0.92 MET (0.70) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL3114941 0.90 MET (0.78) METMAP4K2MAP3K1AAK1Q6ZSR9

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