SCHEMBL2269256

SCHEMBL2269256

CC(C)CC(=O)NC1CCC(n2cnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.46
JAK2 O60674 3/20 0.44
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
TTK P33981 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL2276340 0.93 JAK1 (0.58) JAK1JAK2TYK2JAK3
SCHEMBL2273597 0.86 JAK1 (0.46) JAK1JAK2TYK2JAK3
SCHEMBL13823487 0.86 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL2273246 0.85 JAK1 (0.52) JAK1JAK2TYK2JAK3
SCHEMBL2275305 0.84 JAK1 (0.61) JAK1JAK2TYK2JAK3
SCHEMBL2223730 0.82 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL2271302 0.82 JAK1 (0.46) JAK1JAK2TYK2JAK3PDPK1
SCHEMBL2274818 0.82 JAK1 (0.46) JAK1
SCHEMBL2278824 0.81 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL2273826 0.81 JAK1 (0.48) 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