SCHEMBL1045928

SCHEMBL1045928

CN(C)C(CC=O)N1CCN(c2ncnc3[nH]ccc23)CC12CC2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.50
LCK P06239 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47

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
SCHEMBL1048438 0.85 JAK3 (0.52) JAK3LCKJAK2JAK1TYK2
SCHEMBL1050764 0.85 JAK3 (0.54) JAK3LCKJAK2JAK1TYK2
SCHEMBL1049584 0.85 JAK3 (0.50) JAK3LCKJAK2JAK1TYK2
SCHEMBL1050011 0.82 JAK3 (0.52) JAK3LCKJAK2JAK1TYK2
SCHEMBL1048032 0.76 JAK3 (0.48) JAK3LCKJAK2JAK1TYK2
SCHEMBL1048782 0.75 JAK3 (0.59) JAK3LCK
SCHEMBL1049059 0.75 ROCK2 (0.55) JAK3JAK2JAK1TYK2
SCHEMBL12500419 0.74 JAK3 (0.55) JAK3LCKJAK2JAK1TYK2
SCHEMBL12500338 0.74 JAK3 (0.54) JAK3LCKJAK2JAK1TYK2
SCHEMBL1046963 0.73 ROCK2 (0.53) JAK3LCKJAK2JAK1TYK2

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-2451813-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS Leo Pharma A/S (DK) 2012-05-16 EP claimed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 WO claimed
EP-2451813-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS Leo Pharma A/S (DK) 2012-05-16 EP disclosed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 WO disclosed