SCHEMBL30453876

SCHEMBL30453876

COc1ccc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.67
ALK Q9UM73 12/20 0.66
JAK2 O60674 1/20 0.63

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
SCHEMBL488831 1.00 MET (0.67) METALKJAK2
SCHEMBL488304 0.92 MET (0.67) METALKJAK2
SCHEMBL30453449 0.92 MET (0.67) METALKJAK2
SCHEMBL30454855 0.88 MET (0.76) METALKJAK2
SCHEMBL488681 0.88 MET (0.76) METALKJAK2
SCHEMBL5252607 0.88 MET (0.79) METALKJAK2
SCHEMBL488789 0.87 MET (0.71) METALKJAK2
SCHEMBL30453527 0.87 MET (0.71) METALKJAK2
SCHEMBL12004320 0.86 MET (0.62) METALKJAK2
SCHEMBL12004187 0.86 MET (0.62) METALKJAK2

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