SCHEMBL323816

SCHEMBL323816

Cc1ccc(S(=O)(=O)N2CCCN(c3ncnc4[nH]ccc34)CC23CC3)cc1.S=C(CC1CCCC1)N1CCCN(c2ncnc3[nH]ccc23)CC12CC2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.51
LCK P06239 3/20 0.50
JAK2 O60674 1/20 0.48

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
SCHEMBL323438 0.87 JAK3 (0.56) JAK3LCK
SCHEMBL323560 0.87 JAK3 (0.61) JAK3LCKJAK2
SCHEMBL1047948 0.82 JAK3 (0.52) JAK3LCKJAK2
SCHEMBL323136 0.79 JAK3 (0.72) JAK3LCKJAK2
SCHEMBL15064079 0.74 JAK3 (0.65) JAK3LCKJAK2
SCHEMBL12500533 0.73 JAK3 (0.51) JAK3LCKJAK2
SCHEMBL324434 0.72 JAK3 (0.67) JAK3LCKJAK2
SCHEMBL12500377 0.71 JAK3 (0.50) JAK3LCKJAK2
SCHEMBL322818 0.70 JAK3 (0.67) JAK3LCKJAK2
SCHEMBL1047611 0.70 JAK3 (0.56) JAK3LCKJAK2

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