SCHEMBL1079221

SCHEMBL1079221

N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4[nH]ccc34)CC23CC3)cc1.O=S(=O)(NCC1CCCO1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.51
JAK2 O60674 3/20 0.49
JAK1 P23458 1/20 0.49
LCK P06239 6/20 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
SCHEMBL1047544 0.91 JAK2 (0.57) JAK3JAK2JAK1LCK
SCHEMBL1050679 0.88 JAK3 (0.60) JAK3JAK2LCK
SCHEMBL322904 0.80 JAK2 (0.58) JAK3JAK2JAK1LCK
SCHEMBL1048617 0.79 JAK3 (0.57) JAK3LCK
SCHEMBL1079222 0.78 JAK3 (0.49) JAK3JAK2LCK
SCHEMBL1046539 0.77 JAK3 (0.61) JAK3JAK2LCK
SCHEMBL1046674 0.77 JAK3 (0.57) JAK3JAK1LCK
SCHEMBL1049395 0.77 JAK3 (0.54) JAK3LCK
SCHEMBL1048571 0.77 JAK3 (0.51) JAK3JAK2LCK
SCHEMBL322764 0.76 JAK3 (0.57) JAK3JAK2LCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 WO disclosed