SCHEMBL3401210

SCHEMBL3401210

N#CCNC(=O)N1CCC(n2c(=O)[nH]c3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.65
JAK3 P52333 20/20 0.65
JAK1 P23458 18/20 0.65
TYK2 P29597 1/20 0.51

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
SCHEMBL2103890 0.87 JAK2 (0.80) JAK2JAK3JAK1TYK2
SCHEMBL2104138 0.87 JAK2 (0.80) JAK2JAK3JAK1TYK2
SCHEMBL2105060 0.86 JAK2 (0.66) JAK2JAK3JAK1TYK2
SCHEMBL2103558 0.84 JAK2 (0.87) JAK2JAK3JAK1TYK2
SCHEMBL2105157 0.84 JAK1 (0.90) JAK2JAK3JAK1TYK2
SCHEMBL2106261 0.84 JAK1 (0.90) JAK2JAK3JAK1TYK2
SCHEMBL2104110 0.80 JAK2 (0.90) JAK2JAK3JAK1TYK2
SCHEMBL13398123 0.80 JAK2 (0.65) JAK2JAK3JAK1TYK2
SCHEMBL2054929 0.79 JAK2 (1.00) JAK2JAK3JAK1TYK2
SCHEMBL2104689 0.79 JAK2 (0.62) JAK2JAK3JAK1TYK2

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