SCHEMBL4600731

SCHEMBL4600731

CC1CCN(C(=O)C2CC2)CC1n1c(=O)[nH]c2cnc3[nH]ccc3c21

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.79
JAK3 P52333 20/20 0.79
JAK1 P23458 18/20 0.79

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
SCHEMBL2105067 0.94 JAK2 (0.81) JAK2JAK3JAK1
SCHEMBL3316455 0.91 JAK2 (0.80) JAK2JAK3JAK1
SCHEMBL3314602 0.91 JAK2 (0.80) JAK2JAK3JAK1
SCHEMBL2105238 0.90 JAK2 (0.77) JAK2JAK3JAK1
SCHEMBL2105539 0.90 JAK2 (0.90) JAK2JAK3JAK1
SCHEMBL2104941 0.90 JAK2 (0.77) JAK2JAK3JAK1
SCHEMBL2105005 0.90 JAK2 (0.77) JAK2JAK3JAK1
SCHEMBL2107105 0.89 JAK2 (0.98) JAK2JAK3JAK1
SCHEMBL13398171 0.89 JAK2 (0.85) JAK2JAK3JAK1
SCHEMBL13398338 0.88 JAK2 (0.81) JAK2JAK3JAK1

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-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed