SCHEMBL30453363

SCHEMBL30453363

CC(Oc1cc(-c2ccc(OCCN3CCCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.70
MET P08581 11/20 0.68
JAK2 O60674 3/20 0.62
AXL P30530 1/20 0.58
ROS1 P08922 1/20 0.57

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
SCHEMBL488800 1.00 ALK (0.70) ALKMETJAK2AXLROS1
SCHEMBL488158 0.93 ALK (0.81) ALKMETJAK2AXL
SCHEMBL30453539 0.93 ALK (0.81) ALKMETJAK2AXL
SCHEMBL30454554 0.91 MET (0.71) ALKMETJAK2AXL
SCHEMBL488671 0.91 MET (0.71) ALKMETJAK2AXL
SCHEMBL5250750 0.90 ALK (0.68) ALKMETJAK2AXL
SCHEMBL5930650 0.85 MET (0.73) ALKMETJAK2AXL
SCHEMBL17310066 0.84 ALK (0.84) ALKMETJAK2
SCHEMBL17310067 0.84 ALK (0.84) ALKMETJAK2
SCHEMBL488401 0.84 ALK (0.80) 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