SCHEMBL30453602

SCHEMBL30453602

CC(Oc1cc(-c2ccc(C(=O)NCCCN3CCCC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.83
ALK Q9UM73 5/20 0.49
AXL P30530 1/20 0.49
JAK2 O60674 1/20 0.48

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
SCHEMBL488253 1.00 MET (0.83) METALKAXLJAK2
SCHEMBL30453174 0.95 MET (0.91) METALKAXLJAK2
SCHEMBL487966 0.95 MET (0.91) METALKAXLJAK2
SCHEMBL30452850 0.95 MET (0.91) METALKAXLJAK2
SCHEMBL488180 0.95 MET (0.91) METALKAXLJAK2
SCHEMBL488406 0.92 MET (0.71) METALKAXLJAK2
SCHEMBL30453350 0.92 MET (0.71) METALKAXLJAK2
SCHEMBL30454945 0.91 MET (1.00) METALKAXLJAK2
SCHEMBL488439 0.91 MET (1.00) METALKAXLJAK2
SCHEMBL10216454 0.90 MET (0.82) METALKAXLJAK2

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