SCHEMBL30453345

SCHEMBL30453345

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.68
ATR Q13535 6/20 0.54
MAP4K3 Q8IVH8 1/20 0.49
CHEK2 O96017 1/20 0.48
MAP4K4 O95819 1/20 0.48
IKBKB O14920 1/20 0.44

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
SCHEMBL488463 1.00 MET (0.68) METATRMAP4K3CHEK2MAP4K4
SCHEMBL30453330 0.96 MET (0.62) METATRMAP4K3CHEK2MAP4K4
SCHEMBL488485 0.96 MET (0.62) METATRMAP4K3CHEK2MAP4K4
SCHEMBL488531 0.96 MET (0.61) METATRMAP4K3CHEK2MAP4K4
SCHEMBL30453089 0.96 MET (0.61) METATRMAP4K3CHEK2MAP4K4
SCHEMBL30452825 0.94 MET (0.60) METATRMAP4K3CHEK2MAP4K4
SCHEMBL487974 0.94 MET (0.60) METATRMAP4K3CHEK2MAP4K4
SCHEMBL488055 0.93 MET (0.59) METATRMAP4K3CHEK2MAP4K4
SCHEMBL30453791 0.92 ATR (0.59) METATRCHEK2MAP4K4IKBKB
SCHEMBL488359 0.92 ATR (0.59) METATRCHEK2MAP4K4IKBKB

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