SCHEMBL2273829

SCHEMBL2273829

O=S(=O)(c1ccccc1)c1nc2cnc3[nH]ccc3c2n1C1CCC(CO)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.58
JAK2 O60674 17/20 0.58
JAK1 P23458 16/20 0.58
TYK2 P29597 15/20 0.58

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
SCHEMBL2223737 0.91 JAK1 (0.62) JAK3JAK2JAK1TYK2
SCHEMBL2223333 0.89 JAK1 (0.62) JAK3JAK2JAK1TYK2
SCHEMBL2226063 0.88 JAK1 (0.54) JAK3JAK2JAK1TYK2
SCHEMBL2279030 0.88 JAK1 (0.62) JAK3JAK2JAK1TYK2
SCHEMBL2276045 0.86 JAK2 (0.52) JAK3JAK2JAK1TYK2
SCHEMBL2275172 0.86 JAK1 (0.64) JAK3JAK2JAK1TYK2
SCHEMBL2273239 0.86 JAK1 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL2276343 0.86 JAK1 (0.54) JAK3JAK2JAK1TYK2
SCHEMBL2276307 0.85 JAK1 (0.53) JAK3JAK2JAK1TYK2
SCHEMBL2270974 0.85 JAK3 (0.60) JAK3JAK2JAK1TYK2

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