SCHEMBL2227229

SCHEMBL2227229

Cc1nc2c(S(=O)(=O)c3ccccc3)nc3[nH]ccc3c2n1C1CCC(N)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.45
JAK2 O60674 16/20 0.45
AURKA O14965 1/20 0.41
PRKCA P17252 1/20 0.41
KDR P35968 1/20 0.41
TYK2 P29597 4/20 0.39
JAK3 P52333 4/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2273422 0.94 JAK1 (0.42) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2277351 0.91 JAK1 (0.53) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2280645 0.90 JAK1 (0.53) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2280651 0.90 JAK1 (0.48) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2274748 0.89 JAK2 (0.53) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2273736 0.89 JAK1 (0.43) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2276754 0.87 JAK1 (0.47) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2274424 0.87 JAK1 (0.45) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2275095 0.87 JAK1 (0.43) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2365117 0.87 JAK2 (0.42) JAK1JAK2AURKAPRKCAKDR

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