SCHEMBL30453330

SCHEMBL30453330

CC(Oc1nc(-c2cccc(C(=O)NCCCN3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.62
MAP4K3 Q8IVH8 1/20 0.49
ATR Q13535 2/20 0.49
CHEK2 O96017 1/20 0.47
SMYD2 Q9NRG4 2/20 0.44
MAP4K4 O95819 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
SCHEMBL488485 1.00 MET (0.62) METMAP4K3ATRCHEK2SMYD2
SCHEMBL488299 0.96 MET (0.56) METMAP4K3ATRCHEK2SMYD2
SCHEMBL488463 0.96 MET (0.68) METMAP4K3ATRCHEK2MAP4K4
SCHEMBL30452920 0.96 MET (0.56) METMAP4K3ATRCHEK2SMYD2
SCHEMBL30453345 0.96 MET (0.68) METMAP4K3ATRCHEK2MAP4K4
SCHEMBL488272 0.94 MET (0.55) METMAP4K3CHEK2MAP4K4
SCHEMBL30454831 0.94 MET (0.55) METMAP4K3CHEK2MAP4K4
SCHEMBL30452733 0.92 MET (0.55) METATRCHEK2SMYD2MAP4K4
SCHEMBL488699 0.92 MET (0.55) METATRCHEK2SMYD2MAP4K4
SCHEMBL488531 0.92 MET (0.61) METMAP4K3ATRCHEK2MAP4K4

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