SCHEMBL30452658

SCHEMBL30452658

CC(Oc1nc(-c2ccc(OCCN3CCOCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.61
MET P08581 13/20 0.58
MAP4K3 Q8IVH8 1/20 0.53
INPPL1 O15357 1/20 0.48
JAK2 O60674 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL488016 1.00 ALK (0.61) ALKMETMAP4K3INPPL1JAK2
SCHEMBL488088 0.95 ALK (0.54) ALKMETMAP4K3INPPL1NTRK1
SCHEMBL30452612 0.89 ALK (0.49) ALKMETMAP4K3NTRK1
SCHEMBL488154 0.89 ALK (0.49) ALKMETMAP4K3NTRK1
SCHEMBL488401 0.85 ALK (0.80) ALKMETJAK2
SCHEMBL30453722 0.85 ALK (0.80) ALKMETJAK2
SCHEMBL488802 0.84 MET (0.66) ALKMETMAP4K3
SCHEMBL30454806 0.84 MET (0.66) ALKMETMAP4K3
SCHEMBL27650178 0.84 ALK (0.53) ALKMETINPPL1NTRK1
SCHEMBL5486840 0.80 MAP4K3 (0.62) ALKMETMAP4K3INPPL1JAK2

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