SCHEMBL2280818

SCHEMBL2280818

CNc1nc2c(S(=O)(=O)c3ccccc3)nc3[nH]ccc3c2n1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.42
JAK2 O60674 10/20 0.42
JAK3 P52333 6/20 0.40
HTR6 P50406 5/20 0.38
TYK2 P29597 5/20 0.38
PAK4 O96013 1/20 0.36

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
SCHEMBL2274748 0.89 JAK2 (0.53) JAK1JAK2JAK3HTR6TYK2
SCHEMBL2281797 0.87 JAK1 (0.38) JAK1JAK2JAK3TYK2
SCHEMBL2274431 0.84 JAK1 (0.46) JAK1JAK2JAK3TYK2
SCHEMBL2276894 0.84 JAK1 (0.49) JAK1JAK2JAK3TYK2
SCHEMBL2280645 0.80 JAK1 (0.53) JAK1JAK2JAK3TYK2
SCHEMBL2281984 0.79 JAK1 (0.43) JAK1JAK2JAK3HTR6TYK2
SCHEMBL2280651 0.79 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL2277351 0.79 JAK1 (0.53) JAK1JAK2JAK3TYK2
SCHEMBL2227229 0.78 JAK1 (0.45) JAK1JAK2JAK3TYK2
SCHEMBL2273736 0.78 JAK1 (0.43) JAK1JAK2JAK3TYK2

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