SCHEMBL323566

SCHEMBL323566

Cc1cc(C(C=O)N2CCCN(c3ncnc4[nH]ccc34)CC23CC3)on1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.51
LCK P06239 3/20 0.47
JAK2 O60674 1/20 0.44

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
SCHEMBL323421 0.82 AKT1 (0.45) JAK3JAK2
SCHEMBL323632 0.81 JAK3 (0.52) JAK3LCK
SCHEMBL323133 0.81 JAK3 (0.52) JAK3LCKJAK2
SCHEMBL322984 0.81 JAK3 (0.51) JAK3LCK
SCHEMBL323751 0.79 JAK3 (0.51) JAK3LCKJAK2
SCHEMBL323137 0.79 JAK3 (0.54) JAK3LCKJAK2
SCHEMBL323647 0.78 JAK3 (0.64) JAK3LCKJAK2
SCHEMBL1048032 0.76 JAK3 (0.48) JAK3LCKJAK2
SCHEMBL323565 0.76 JAK3 (0.65) JAK3LCKJAK2
SCHEMBL1049059 0.74 ROCK2 (0.55) JAK3JAK2

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