SCHEMBL30453054

SCHEMBL30453054

Nc1ncc(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2)cc1OCc1c(F)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.67
KCNH2 Q12809 1/20 0.47
MAP4K4 O95819 1/20 0.43
KDM1A O60341 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K3 Q8IVH8 1/20 0.42

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
SCHEMBL488200 1.00 MET (0.67) METKCNH2MAP4K4KDM1AJAK2
SCHEMBL30452989 0.90 MET (0.66) METKCNH2KDM1AJAK2MAP4K3
SCHEMBL487983 0.90 MET (0.66) METKCNH2KDM1AJAK2MAP4K3
SCHEMBL10316727 0.90 MET (0.66) METKCNH2KDM1AJAK2MAP4K3
SCHEMBL488021 0.90 MET (0.66) METKCNH2KDM1AJAK2MAP4K3
SCHEMBL30452806 0.90 MET (0.66) METKCNH2KDM1AJAK2MAP4K3
SCHEMBL487996 0.89 MET (0.64) METMAP4K4
SCHEMBL30453881 0.89 MET (0.64) METMAP4K4
SCHEMBL488185 0.86 MET (0.65) METKCNH2MAP4K4MAP4K3
SCHEMBL30452960 0.86 MET (0.65) METKCNH2MAP4K4MAP4K3

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