SCHEMBL2226318

SCHEMBL2226318

CC(C)(O)Cc1nc2cnc3[nH]ccc3c2n1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.58
JAK2 O60674 15/20 0.58
TYK2 P29597 12/20 0.58
JAK3 P52333 12/20 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
SCHEMBL2280497 0.87 JAK2 (0.66) JAK1JAK2TYK2JAK3
SCHEMBL27433394 0.86 JAK1 (0.60) JAK1JAK2TYK2JAK3
SCHEMBL2282018 0.85 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL2273398 0.84 JAK1 (0.67) JAK1JAK2TYK2JAK3
SCHEMBL9953265 0.84 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL2276234 0.84 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL2274555 0.84 JAK1 (0.59) JAK1JAK2TYK2JAK3
SCHEMBL9953293 0.84 JAK1 (0.56) JAK1JAK2TYK2JAK3
SCHEMBL2275249 0.83 TYK2 (0.57) JAK1JAK2TYK2JAK3
SCHEMBL2278015 0.83 JAK1 (0.51) 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