SCHEMBL2272441

SCHEMBL2272441

O=C(NC1CCC(n2c(S(=O)(=O)c3ccccc3)nc3cnc4[nH]ccc4c32)CC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.52
JAK2 O60674 15/20 0.52
TYK2 P29597 11/20 0.48
JAK3 P52333 11/20 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
SCHEMBL2275311 0.83 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2279896 0.81 JAK1 (0.46) JAK1JAK2TYK2JAK3
SCHEMBL2223737 0.79 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2272285 0.79 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2271308 0.79 JAK1 (0.55) JAK1JAK2TYK2JAK3
SCHEMBL2278830 0.79 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL2273239 0.79 JAK1 (0.58) JAK1JAK2TYK2JAK3
SCHEMBL2269259 0.78 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL2276045 0.77 JAK2 (0.52) JAK1JAK2TYK2JAK3
SCHEMBL2279561 0.77 JAK1 (0.37) JAK1JAK2TYK2JAK3

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-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed