SCHEMBL3398847

SCHEMBL3398847

Nc1cccnc1N1CCCC(n2c(=O)[nH]c3cnc4[nH]ccc4c32)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.63
JAK3 P52333 20/20 0.63
JAK1 P23458 18/20 0.63

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
SCHEMBL2105614 1.00 JAK2 (0.63) JAK2JAK3JAK1
SCHEMBL2102232 0.87 JAK2 (0.62) JAK2JAK3JAK1
SCHEMBL2106747 0.86 JAK2 (0.60) JAK2JAK3JAK1
SCHEMBL3400076 0.86 JAK2 (0.60) JAK2JAK3JAK1
SCHEMBL2104919 0.82 JAK2 (0.65) JAK2JAK3JAK1
SCHEMBL2055078 0.79 JAK2 (0.63) JAK2JAK3JAK1
SCHEMBL2055077 0.79 JAK2 (0.65) JAK2JAK3JAK1
SCHEMBL2105721 0.79 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL2054860 0.79 JAK2 (0.95) JAK2JAK3JAK1
SCHEMBL2105069 0.78 JAK2 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed