SCHEMBL30453250

SCHEMBL30453250

CC(Oc1nc(-c2ccc(C(=O)O)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.58
MAP4K3 Q8IVH8 1/20 0.57
CHEK2 O96017 1/20 0.48
ALK Q9UM73 2/20 0.47
JAK2 O60674 1/20 0.46

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
SCHEMBL488464 1.00 MET (0.58) METMAP4K3CHEK2ALKJAK2
SCHEMBL1900159 1.00 MET (0.58) METMAP4K3CHEK2ALKJAK2
SCHEMBL30452752 0.94 MET (0.51) METMAP4K3CHEK2
SCHEMBL488687 0.94 MET (0.51) METMAP4K3CHEK2
SCHEMBL5486835 0.92 MET (0.58) METMAP4K3CHEK2ALKJAK2
SCHEMBL488495 0.92 MET (0.58) METMAP4K3CHEK2ALKJAK2
SCHEMBL488216 0.90 MET (0.58) METMAP4K3ALKJAK2
SCHEMBL30453109 0.90 MET (0.58) METMAP4K3ALKJAK2
SCHEMBL5486840 0.88 MAP4K3 (0.62) METMAP4K3ALKJAK2
SCHEMBL30452717 0.87 MET (0.60) METMAP4K3CHEK2

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