SCHEMBL30454699

SCHEMBL30454699

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.51
MAP4K3 Q8IVH8 1/20 0.50
CHEK2 O96017 1/20 0.44
ALK Q9UM73 2/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL488836 1.00 MET (0.51) METMAP4K3CHEK2ALKJAK2
SCHEMBL30452704 0.95 MET (0.45) METMAP4K3CHEK2
SCHEMBL488978 0.95 MET (0.45) METMAP4K3CHEK2
SCHEMBL30452428 0.85 MET (0.63) METALKJAK2
SCHEMBL487817 0.85 MET (0.63) METALKJAK2
SCHEMBL30453380 0.84 MET (0.55) METMAP4K3CHEK2
SCHEMBL488697 0.84 MET (0.55) METMAP4K3CHEK2
SCHEMBL488395 0.82 CNR1 (0.49) METMAP4K3ALK
SCHEMBL30453036 0.82 CNR1 (0.49) METMAP4K3ALK
SCHEMBL488027 0.82 MET (0.38) METALK

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