SCHEMBL323457

SCHEMBL323457

CCCCS(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1.Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.45
JAK1 P23458 12/20 0.45
JAK2 O60674 12/20 0.45
TYK2 P29597 10/20 0.45
ENPP1 P22413 1/20 0.43
GBA1 P04062 1/20 0.43
RAB9A P51151 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
SCHEMBL326321 0.92 JAK3 (0.52) JAK3JAK1JAK2TYK2ENPP1
SCHEMBL323667 0.91 GBA1 (0.51) JAK3JAK1JAK2TYK2ENPP1
SCHEMBL323346 0.77 JAK3 (0.52) JAK3JAK1JAK2TYK2ENPP1
SCHEMBL1047948 0.75 JAK3 (0.52) JAK3JAK1JAK2TYK2ENPP1
SCHEMBL322737 0.75 JAK2 (0.47) JAK3JAK1JAK2TYK2ENPP1
SCHEMBL15663861 0.74 JAK3 (0.58) JAK3JAK1JAK2TYK2ENPP1
SCHEMBL324549 0.74 JAK3 (0.52) JAK3JAK1JAK2TYK2ENPP1
SCHEMBL15664196 0.73 KIT (0.62) JAK3JAK1JAK2TYK2ENPP1
SCHEMBL323438 0.72 JAK3 (0.56) JAK3
SCHEMBL324612 0.71 JAK3 (0.61) JAK3JAK1JAK2TYK2

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