SCHEMBL30453628

SCHEMBL30453628

CC(Oc1nc(-c2cccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.54
CHEK2 O96017 1/20 0.51
ATR Q13535 9/20 0.45
MAP4K3 Q8IVH8 1/20 0.44
JAK2 O60674 1/20 0.40
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
PTPN11 Q06124 1/20 0.39

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
SCHEMBL488230 1.00 MET (0.54) METCHEK2ATRMAP4K3JAK2
SCHEMBL488797 0.92 MET (0.58) METCHEK2ATRMAP4K3JAK2
SCHEMBL30453966 0.92 MET (0.58) METCHEK2ATRMAP4K3JAK2
SCHEMBL488338 0.92 MET (0.67) METCHEK2MAP4K3JAK2
SCHEMBL30453773 0.92 MET (0.67) METCHEK2MAP4K3JAK2
SCHEMBL488646 0.90 MET (0.60) METCHEK2ATRMAP4K3LDHA
SCHEMBL30453954 0.90 MET (0.60) METCHEK2ATRMAP4K3LDHA
SCHEMBL488710 0.86 MET (0.50) METCHEK2ATRMAP4K3LDHA
SCHEMBL30453644 0.86 MET (0.50) METCHEK2ATRMAP4K3LDHA
SCHEMBL488713 0.86 MET (0.50) METCHEK2ATRMAP4K3LDHA

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