SCHEMBL30453896

SCHEMBL30453896

CC(Oc1nc(-c2ccc(NC(=O)NC3CCN(C)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.58
MAP4K3 Q8IVH8 1/20 0.54
MAP4K2 Q12851 1/20 0.47
MAP3K1 Q13233 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
Q6ZSR9 Q6ZSR9 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
ATR Q13535 1/20 0.45
ALK Q9UM73 5/20 0.44
CHEK2 O96017 1/20 0.43
AXL P30530 1/20 0.43

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
SCHEMBL488584 1.00 MET (0.58) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL488783 0.95 MET (0.52) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL30454106 0.95 MET (0.52) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL30452777 0.90 MET (0.60) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL488291 0.90 MET (0.60) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL488848 0.86 MET (0.61) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL30453713 0.86 MET (0.61) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL30454658 0.86 MET (0.60) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL488156 0.86 MET (0.60) METMAP4K3MAP4K2MAP3K1AAK1
SCHEMBL488073 0.85 MET (0.54) 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