Sugi Predict

Sugi Predict / Compounds / SCHEMBL2533533

SCHEMBL2533533

SCHEMBL2533533

CNS(=O)(=O)c1ncc2ccc(-c3ccccc3N3CCCS3(=O)=O)n2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.39
▸ FEN1 P39748 3/20 0.39
▸ ALK Q9UM73 10/20 0.38
▸ INSR P06213 7/20 0.37
▸ JAK2 O60674 9/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ NPM1 P06748 3/20 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
SCHEMBL2533530 0.90 ALK (0.38) ALKINSRJAK2CYP3A4NPM1
SCHEMBL2536859 0.81 JAK2 (0.40) ALKINSRJAK2
SCHEMBL522476 0.80 ALOX5AP (0.42) ALOX5APFEN1ALKINSRJAK2
SCHEMBL521875 0.78 ALOX5AP (0.41) ALOX5APFEN1ALKINSRJAK2
SCHEMBL2536858 0.73 JAK2 (0.40) ALKINSRJAK2
SCHEMBL520303 0.70 JAK2 (0.44) ALKINSRJAK2CYP3A4
SCHEMBL522477 0.68 ALK (0.34) ALKINSRJAK2CYP3A4NPM1
SCHEMBL521876 0.67 JAK2 (0.33) ALKINSRJAK2CYP3A4NPM1
SCHEMBL2530064 0.66 DYRK3 (0.41) ALKINSRJAK2
SCHEMBL521498 0.62 JAK2 (0.55) ALKINSRJAK2CYP3A4NPM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 — — EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 — — WO disclosed