SCHEMBL30453089

SCHEMBL30453089

CC(Oc1nc(-c2cccc(C(=O)NCCN3CCCC3)c2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.61
ATR Q13535 6/20 0.55
MAP4K4 O95819 3/20 0.49
CHEK2 O96017 1/20 0.46
IKBKB O14920 1/20 0.45
MAP4K3 Q8IVH8 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
SCHEMBL488531 1.00 MET (0.61) METATRMAP4K4CHEK2IKBKB
SCHEMBL30453345 0.96 MET (0.68) METATRMAP4K4CHEK2IKBKB
SCHEMBL30452920 0.96 MET (0.56) METATRMAP4K4CHEK2IKBKB
SCHEMBL488299 0.96 MET (0.56) METATRMAP4K4CHEK2IKBKB
SCHEMBL488463 0.96 MET (0.68) METATRMAP4K4CHEK2IKBKB
SCHEMBL488825 0.94 MET (0.54) METATRMAP4K4CHEK2
SCHEMBL30453544 0.94 MET (0.54) METATRMAP4K4CHEK2
SCHEMBL488466 0.93 MET (0.53) METATRMAP4K4CHEK2IKBKB
SCHEMBL488227 0.92 MET (0.68) METATRMAP4K4CHEK2MAP4K3
SCHEMBL30454506 0.92 MET (0.68) METATRMAP4K4CHEK2MAP4K3

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