SCHEMBL30454477

SCHEMBL30454477

CC(Oc1cc(-c2ccc(OCCN3CCCC3)cc2)cnc1N)c1cccc(F)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.54
ALK Q9UM73 4/20 0.52
JAK2 O60674 7/20 0.48
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
AXL P30530 1/20 0.44

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
SCHEMBL488071 1.00 MET (0.54) METALKJAK2JAK1TYK2
SCHEMBL488671 0.86 MET (0.71) METALKJAK2AXL
SCHEMBL30454554 0.86 MET (0.71) METALKJAK2AXL
SCHEMBL27650246 0.84 KDM4E (0.43) AXL
SCHEMBL487940 0.81 ALK (0.72) METALKJAK2AXL
SCHEMBL30453916 0.81 ALK (0.72) METALKJAK2AXL
SCHEMBL30453722 0.79 ALK (0.80) METALKJAK2AXL
SCHEMBL488401 0.79 ALK (0.80) METALKJAK2AXL
SCHEMBL21478607 0.78 JAK2 (0.55) ALKJAK2JAK1TYK2JAK3
SCHEMBL488800 0.77 ALK (0.70) METALKJAK2AXL

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