SCHEMBL327049

SCHEMBL327049

N#CCCCN1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.59
LCK P06239 5/20 0.50
JAK2 O60674 4/20 0.50
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
STAT3 P40763 1/20 0.49

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
SCHEMBL324549 0.87 JAK3 (0.52) JAK3LCKJAK2JAK1TYK2
SCHEMBL322527 0.80 JAK3 (0.73) JAK3LCKJAK2
SCHEMBL15987994 0.78 JAK3 (0.48) JAK3LCK
SCHEMBL322327 0.78 JAK3 (0.63) JAK3JAK2JAK1TYK2
SCHEMBL322868 0.78 JAK3 (0.65) JAK3LCKJAK2
SCHEMBL322963 0.77 JAK3 (0.89) JAK3LCKJAK2JAK1TYK2
SCHEMBL323433 0.76 JAK3 (0.69) JAK3LCKJAK2JAK1TYK2
SCHEMBL323336 0.76 JAK3 (0.55) JAK3LCKJAK2JAK1TYK2
SCHEMBL323325 0.76 JAK3 (0.68) JAK3LCKJAK2
SCHEMBL10230018 0.76 JAK3 (0.62) 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 2 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 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