SCHEMBL323338

SCHEMBL323338

CC1CN(c2ncnc3[nH]ccc23)CC2(CC2)CN1C(C=O)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.48
JAK2 O60674 12/20 0.46
JAK1 P23458 11/20 0.46
TYK2 P29597 11/20 0.46
DOT1L Q8TEK3 2/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL323337 0.78 JAK3 (0.51) JAK3JAK2JAK1TYK2LCK
SCHEMBL16105927 0.77 JAK2 (0.50) JAK3JAK2JAK1DOT1LLCK
SCHEMBL323137 0.76 JAK3 (0.54) JAK3JAK2JAK1TYK2LCK
SCHEMBL323125 0.73 KIT (0.53) JAK2JAK1
SCHEMBL322737 0.72 JAK2 (0.47) JAK3JAK2JAK1TYK2LCK
SCHEMBL322485 0.72 KIT (0.57) JAK3JAK2JAK1TYK2LCK
SCHEMBL323977 0.72 JAK3 (0.55) JAK3JAK2JAK1TYK2DOT1L
SCHEMBL322451 0.70 JAK3 (0.48) JAK3JAK2JAK1TYK2LCK
SCHEMBL20470386 0.69 JAK3 (0.69) JAK3JAK2DOT1LLCK
SCHEMBL15988537 0.69 JAK3 (0.58) 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