SCHEMBL30453522

SCHEMBL30453522

CC(Oc1cc(-c2cccnc2)cnc1NBr)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.74
MET P08581 10/20 0.59
INPPL1 O15357 6/20 0.52
MAP4K3 Q8IVH8 1/20 0.50

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
SCHEMBL21478593 0.85 JAK2 (1.00) JAK2MET
SCHEMBL30142949 0.85 JAK2 (1.00) JAK2MET
SCHEMBL21478982 0.85 JAK2 (1.00) JAK2MET
SCHEMBL3391902 0.81 MET (0.69) JAK2METINPPL1
SCHEMBL30453123 0.79 JAK2 (0.88) JAK2MET
SCHEMBL488360 0.79 JAK2 (0.88) JAK2MET
SCHEMBL488269 0.74 MET (1.00) JAK2MET
SCHEMBL13412106 0.74 JAK2 (0.62) JAK2METINPPL1
SCHEMBL30453779 0.74 MET (1.00) JAK2MET
SCHEMBL5255394 0.74 JAK2 (0.79) JAK2METINPPL1

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