SCHEMBL2270916

SCHEMBL2270916

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.41
JAK2 O60674 15/20 0.41
AURKA O14965 1/20 0.37
PRKCA P17252 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 8/20 0.36
TYK2 P29597 6/20 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
SCHEMBL2277351 0.87 JAK1 (0.53) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2276029 0.87 JAK1 (0.48) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2274424 0.86 JAK1 (0.45) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2285041 0.84 JAK1 (0.40) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2227229 0.84 JAK1 (0.45) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2280645 0.84 JAK1 (0.53) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2280651 0.83 JAK1 (0.48) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2274748 0.83 JAK2 (0.53) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2279214 0.83 JAK1 (0.36) JAK1JAK2JAK3TYK2
SCHEMBL2275095 0.83 JAK1 (0.43) 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