SCHEMBL30453756

SCHEMBL30453756

CC(Oc1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.68
ALK Q9UM73 6/20 0.58
GRK5 P34947 1/20 0.49
MAP4K4 O95819 1/20 0.48
JAK2 O60674 2/20 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
SCHEMBL488589 1.00 MET (0.68) METALKGRK5MAP4K4JAK2
SCHEMBL30453721 0.96 MET (0.75) METALKJAK2
SCHEMBL487746 0.96 MET (0.75) METALKJAK2
SCHEMBL30454143 0.94 MET (0.77) METALKJAK2
SCHEMBL488639 0.94 MET (0.77) METALKJAK2
SCHEMBL30452627 0.92 MET (0.80) METALKJAK2
SCHEMBL488578 0.92 MET (0.80) METALKJAK2
SCHEMBL488655 0.92 MET (0.69) METALKJAK2
SCHEMBL30452877 0.92 MET (0.69) METALKJAK2
SCHEMBL30453726 0.90 MET (0.62) METALKGRK5MAP4K4

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