SCHEMBL30453746

SCHEMBL30453746

[2H]c1cc(S(=O)(=O)CC)ccc1C1(N)N=C(N(C)c2ccc3c(C)n[nH]c3c2)C=CN1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33

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
SCHEMBL30453669 0.86
SCHEMBL30453450 0.81 LRRK2 (0.34)
SCHEMBL30452600 0.77
SCHEMBL30452718 0.77
SCHEMBL30452909 0.74 JAK2 (0.30) JAK2
SCHEMBL30453873 0.72
SCHEMBL30454256 0.70 MAPK8 (0.33)
SCHEMBL589706 0.66 JAK2 (0.43) JAK2
SCHEMBL12907430 0.65 JAK2 (0.63) JAK2
SCHEMBL10151205 0.64 KDR (0.51) JAK2

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