SCHEMBL30452707

SCHEMBL30452707

CC(Oc1nc(-c2cccc(C(=O)N3CCC[C@H]3CN3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.69
CSF1R P07333 2/20 0.58
MAP4K3 Q8IVH8 1/20 0.50
ATR Q13535 1/20 0.46
CHEK2 O96017 1/20 0.43

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
SCHEMBL488292 1.00 MET (0.69) METCSF1RMAP4K3ATRCHEK2
SCHEMBL30453832 1.00 MET (0.69) METCSF1RMAP4K3ATRCHEK2
SCHEMBL488240 1.00 MET (0.69) METCSF1RMAP4K3ATRCHEK2
SCHEMBL488331 0.96 MET (0.69) METCSF1RMAP4K3ATR
SCHEMBL30454224 0.96 MET (0.69) METCSF1RMAP4K3ATR
SCHEMBL488329 0.96 MET (0.69) METCSF1RMAP4K3ATR
SCHEMBL488452 0.92 MET (0.76) METCSF1RMAP4K3ATRCHEK2
SCHEMBL30452594 0.92 MET (0.76) METCSF1RMAP4K3ATRCHEK2
SCHEMBL488454 0.92 MET (0.76) METCSF1RMAP4K3ATRCHEK2
SCHEMBL488313 0.92 MET (0.69) METCSF1RATRCHEK2

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