SCHEMBL322287

SCHEMBL322287

CC1CNC(=O)N1CC(=O)N1CCCN(c2ncnc3[nH]ccc23)CC12CC2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.64
LCK P06239 5/20 0.64
JAK2 O60674 2/20 0.60

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
SCHEMBL318494 0.83 JAK3 (0.71) JAK3LCKJAK2
SCHEMBL323608 0.82 JAK3 (0.57) JAK3LCKJAK2
SCHEMBL322286 0.81 JAK3 (0.66) JAK3LCKJAK2
SCHEMBL323136 0.81 JAK3 (0.72) JAK3LCKJAK2
SCHEMBL324116 0.80 JAK3 (0.66) JAK3LCKJAK2
SCHEMBL322861 0.80 JAK3 (0.66) JAK3LCKJAK2
SCHEMBL12547532 0.78 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL10205626 0.78 JAK3 (0.85) JAK3LCKJAK2
SCHEMBL18365398 0.78 JAK3 (0.80) JAK3LCKJAK2
SCHEMBL322714 0.77 JAK3 (0.77) 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