SCHEMBL323751

SCHEMBL323751

O=CC(c1ccccc1Cl)N1CCCN(c2ncnc3[nH]ccc23)CC12CC2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.51
LCK P06239 2/20 0.48
AKT2 P31751 2/20 0.47
JAK2 O60674 1/20 0.45

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
SCHEMBL323632 0.86 JAK3 (0.52) JAK3LCKAKT2
SCHEMBL323133 0.82 JAK3 (0.52) JAK3LCKAKT2JAK2
SCHEMBL323282 0.81 AKT2 (0.48) JAK3AKT2JAK2
SCHEMBL323566 0.79 JAK3 (0.51) JAK3LCKJAK2
SCHEMBL322984 0.79 JAK3 (0.51) JAK3LCK
SCHEMBL323137 0.78 JAK3 (0.54) JAK3LCKJAK2
SCHEMBL1048032 0.77 JAK3 (0.48) JAK3LCKJAK2
SCHEMBL1046963 0.76 ROCK2 (0.53) JAK3LCKAKT2JAK2
SCHEMBL323148 0.76 JAK3 (0.64) JAK3LCKJAK2
SCHEMBL15987945 0.74 JAK3 (0.58) JAK3LCKAKT2JAK2

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