SCHEMBL30453539

SCHEMBL30453539

CC(Oc1cc(-c2ccc(OCCN3CCOCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.81
MET P08581 11/20 0.61
JAK2 O60674 3/20 0.60
AXL P30530 1/20 0.56

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
SCHEMBL488158 1.00 ALK (0.81) ALKMETJAK2AXL
SCHEMBL488800 0.93 ALK (0.70) ALKMETJAK2AXL
SCHEMBL30453363 0.93 ALK (0.70) ALKMETJAK2AXL
SCHEMBL17310066 0.92 ALK (0.84) ALKMETJAK2
SCHEMBL17310067 0.92 ALK (0.84) ALKMETJAK2
SCHEMBL488401 0.91 ALK (0.80) ALKMETJAK2AXL
SCHEMBL30453722 0.91 ALK (0.80) ALKMETJAK2AXL
SCHEMBL17310022 0.90 ALK (1.00) ALKMETJAK2
SCHEMBL15933018 0.90 ALK (1.00) ALKMETJAK2
SCHEMBL488588 0.88 ALK (0.78) ALKMETJAK2AXL

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