SCHEMBL323131

SCHEMBL323131

CNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.51
JAK2 O60674 2/20 0.48
JAK1 P23458 2/20 0.48
KIT P10721 4/20 0.47
AKT1 P31749 1/20 0.44
TNNI3K Q59H18 1/20 0.43
ENPP1 P22413 1/20 0.43
TYK2 P29597 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL324291 0.88 KIT (0.56) JAK3JAK2JAK1KITAKT1
SCHEMBL323306 0.87 JAK3 (0.49) JAK3JAK2JAK1KITAKT1
SCHEMBL322994 0.86 JAK3 (0.52) JAK3JAK2JAK1KITAKT1
SCHEMBL323917 0.85 JAK3 (0.48) JAK3JAK2JAK1KITAKT1
SCHEMBL327193 0.82 JAK3 (0.60) JAK3JAK2JAK1KITAKT1
SCHEMBL324107 0.80 JAK3 (0.48) JAK3JAK2JAK1KITAKT1
SCHEMBL327154 0.80 JAK3 (0.54) JAK3JAK2JAK1KITAKT1
SCHEMBL323196 0.80 KIT (0.58) JAK3JAK2JAK1KITAKT1
SCHEMBL323130 0.79 JAK3 (0.50) JAK3JAK2JAK1KITAKT1
SCHEMBL323147 0.79 JAK3 (0.50) JAK3JAK2JAK1KITAKT1

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-2590981-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-05-15 EP claimed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 WO claimed