SCHEMBL30453168

SCHEMBL30453168

Nc1ncc(-c2cccnc2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.60
MET P08581 9/20 0.50
MAP4K3 Q8IVH8 2/20 0.48
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
EPHB4 P54760 1/20 0.40
FYN P06241 1/20 0.39
CHEK2 O96017 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
CYP2A6 P11509 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
SCHEMBL487842 1.00 JAK2 (0.60) JAK2METMAP4K3MKNK1MKNK2
SCHEMBL487679 0.88 MET (0.57) JAK2METMAP4K3FYN
SCHEMBL488295 0.87 MET (0.52) JAK2METMAP4K3
SCHEMBL30452799 0.87 MET (0.52) JAK2METMAP4K3
SCHEMBL488590 0.87 JAK2 (0.51) JAK2METMAP4K3
SCHEMBL5480975 0.85 MET (0.53) JAK2METMAP4K3FYN
SCHEMBL28515206 0.85 JAK2 (0.62) JAK2METMAP4K3MKNK1MKNK2
SCHEMBL488147 0.85 MET (0.52) JAK2METMAP4K3
SCHEMBL30453038 0.85 MET (0.52) JAK2METMAP4K3
SCHEMBL488667 0.83 MET (0.70) JAK2METMAP4K3MKNK1MKNK2

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