SCHEMBL30452806

SCHEMBL30452806

Nc1ncc(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.66
KCNH2 Q12809 1/20 0.48
JAK2 O60674 1/20 0.47
MAP4K3 Q8IVH8 1/20 0.47
KDM1A O60341 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
SCHEMBL10316727 1.00 MET (0.66) METKCNH2JAK2MAP4K3KDM1A
SCHEMBL487983 1.00 MET (0.66) METKCNH2JAK2MAP4K3KDM1A
SCHEMBL30452989 1.00 MET (0.66) METKCNH2JAK2MAP4K3KDM1A
SCHEMBL488021 1.00 MET (0.66) METKCNH2JAK2MAP4K3KDM1A
SCHEMBL30454369 0.95 MET (0.68) METJAK2MAP4K3
SCHEMBL488261 0.95 MET (0.68) METJAK2MAP4K3
SCHEMBL487691 0.91 MET (0.56) METKCNH2JAK2MAP4K3KDM1A
SCHEMBL30453731 0.91 MET (0.56) METKCNH2JAK2MAP4K3KDM1A
SCHEMBL487971 0.91 MET (0.56) METKCNH2JAK2MAP4K3KDM1A
SCHEMBL30453464 0.91 MET (0.56) METKCNH2JAK2MAP4K3KDM1A

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