SCHEMBL30452930

SCHEMBL30452930

CC(Oc1cc(-c2cccc(C(=O)NCCCN3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.78
ALK Q9UM73 8/20 0.55
JAK2 O60674 1/20 0.54
AXL P30530 1/20 0.53
ROS1 P08922 1/20 0.52

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
SCHEMBL488563 1.00 MET (0.78) METALKJAK2AXLROS1
SCHEMBL30453645 0.96 MET (0.85) METALKJAK2AXLROS1
SCHEMBL487752 0.96 MET (0.85) METALKJAK2AXLROS1
SCHEMBL488406 0.96 MET (0.71) METALKJAK2AXL
SCHEMBL30453350 0.96 MET (0.71) METALKJAK2AXL
SCHEMBL30452877 0.94 MET (0.69) METALKJAK2AXL
SCHEMBL488655 0.94 MET (0.69) METALKJAK2AXL
SCHEMBL30453174 0.92 MET (0.91) METALKJAK2AXL
SCHEMBL487966 0.92 MET (0.91) METALKJAK2AXL
SCHEMBL488344 0.92 MET (0.65) METJAK2

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