SCHEMBL322994

SCHEMBL322994

CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.52
KIT P10721 4/20 0.51
AKT1 P31749 1/20 0.45
ENPP1 P22413 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
LCK P06239 1/20 0.44

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) JAK3KITAKT1ENPP1JAK2
SCHEMBL323131 0.86 JAK3 (0.51) JAK3KITAKT1ENPP1JAK2
SCHEMBL323306 0.83 JAK3 (0.49) JAK3KITAKT1ENPP1JAK2
SCHEMBL323917 0.82 JAK3 (0.48) JAK3KITAKT1ENPP1JAK2
SCHEMBL324107 0.82 JAK3 (0.48) JAK3KITAKT1JAK2JAK1
SCHEMBL323181 0.81 KIT (0.64) JAK3KITAKT1JAK2JAK1
SCHEMBL327154 0.81 JAK3 (0.54) JAK3KITAKT1JAK2JAK1
SCHEMBL323196 0.81 KIT (0.58) JAK3KITAKT1ENPP1JAK2
SCHEMBL323051 0.81 KIT (0.56) JAK3KITAKT1JAK2JAK1
SCHEMBL323644 0.81 KIT (0.60) JAK3KITAKT1LCK

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 4 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
EP-2590981-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-05-15 EP disclosed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 WO disclosed