SCHEMBL323137

SCHEMBL323137

O=CC(C1CCCC1)N1CCCN(c2ncnc3[nH]ccc23)CC12CC2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.54
JAK2 O60674 9/20 0.51
JAK1 P23458 9/20 0.51
TYK2 P29597 9/20 0.51
LCK P06239 1/20 0.51

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
SCHEMBL323561 0.91 JAK3 (0.52) JAK3JAK2JAK1TYK2LCK
SCHEMBL323632 0.80 JAK3 (0.52) JAK3LCK
SCHEMBL323133 0.80 JAK3 (0.52) JAK3JAK2JAK1TYK2LCK
SCHEMBL323566 0.79 JAK3 (0.51) JAK3JAK2LCK
SCHEMBL15988160 0.79 JAK3 (0.55) JAK3JAK2JAK1TYK2LCK
SCHEMBL323751 0.78 JAK3 (0.51) JAK3JAK2LCK
SCHEMBL322984 0.76 JAK3 (0.51) JAK3LCK
SCHEMBL323136 0.76 JAK3 (0.72) JAK3JAK2LCK
SCHEMBL16105927 0.76 JAK2 (0.50) JAK3JAK2JAK1LCK
SCHEMBL323338 0.76 JAK3 (0.48) JAK3JAK2JAK1TYK2LCK

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