SCHEMBL2278576

SCHEMBL2278576

CC(=O)NCCc1nc2c(S(=O)(=O)c3ccccc3)nc3[nH]ccc3c2n1C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.61
JAK2 O60674 9/20 0.43
JAK3 P52333 7/20 0.38
TYK2 P29597 5/20 0.38
AURKA O14965 1/20 0.36
PRKCA P17252 1/20 0.36
KDR P35968 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
SCHEMBL2275147 0.86 JAK1 (0.55) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2271092 0.84 JAK1 (0.45) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2280645 0.81 JAK1 (0.53) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2223799 0.79 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2282949 0.79 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2275937 0.79 JAK1 (0.46) JAK1JAK2JAK3TYK2
SCHEMBL2279226 0.78 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2275276 0.78 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2276858 0.78 JAK1 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL2281854 0.77 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