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SCHEMBL2281350

SCHEMBL2281350

CC(C)(C)OC(=O)N1CC(n2c(S(=O)(=O)c3ccccc3)nc3cnc4[nH]ccc4c32)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.45
▸ JAK2 O60674 14/20 0.45
▸ TYK2 P29597 7/20 0.45
▸ JAK3 P52333 7/20 0.45
▸ PIK3CA P42336 1/20 0.44

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
SCHEMBL2274847 0.92 JAK1 (0.51) JAK1JAK2TYK2JAK3
SCHEMBL2275311 0.85 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2272285 0.84 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2278688 0.81 JAK1 (0.44) JAK1JAK2TYK2JAK3PIK3CA
SCHEMBL2276307 0.81 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL2223737 0.80 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2223333 0.80 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2274686 0.79 JAK1 (0.61) JAK1JAK2TYK2JAK3
SCHEMBL2279030 0.79 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2276045 0.78 JAK2 (0.52) 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