SCHEMBL323705

SCHEMBL323705

N#CC1CCCN1C(=O)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.59
JAK2 O60674 8/20 0.50
JAK1 P23458 5/20 0.50
TYK2 P29597 5/20 0.50
LCK P06239 3/20 0.49
AKT2 P31751 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
SCHEMBL323704 1.00 JAK3 (0.59) JAK3JAK2JAK1TYK2LCK
SCHEMBL325201 1.00 JAK3 (0.59) JAK3JAK2JAK1TYK2LCK
SCHEMBL15988537 0.82 JAK3 (0.58) JAK3JAK2JAK1TYK2LCK
SCHEMBL323969 0.80 JAK3 (0.66) JAK3JAK2JAK1TYK2LCK
SCHEMBL322963 0.80 JAK3 (0.89) JAK3JAK2JAK1TYK2LCK
SCHEMBL323325 0.78 JAK3 (0.68) JAK3JAK2LCK
SCHEMBL322527 0.78 JAK3 (0.73) JAK3JAK2LCK
SCHEMBL323219 0.78 JAK3 (0.62) JAK3JAK2JAK1TYK2LCK
SCHEMBL323181 0.78 KIT (0.64) JAK3JAK2JAK1TYK2LCK
SCHEMBL324657 0.78 JAK3 (0.58) JAK3JAK2JAK1TYK2

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