SCHEMBL13860955

SCHEMBL13860955

CC(C)n1ncnc1-c1cn2c(n1)-c1ccc([C@H]3CCN(CC(=O)N(C)C)C[C@@H]3O)cc1OCC2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.59
PIK3CD O00329 7/20 0.59
PIK3CG P48736 5/20 0.59

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
SCHEMBL15397991 1.00 PIK3CA (0.59) PIK3CAPIK3CDPIK3CG
SCHEMBL11967475 1.00 PIK3CA (0.59) PIK3CAPIK3CDPIK3CG
SCHEMBL15397995 1.00 PIK3CA (0.59) PIK3CAPIK3CDPIK3CG
SCHEMBL13861018 1.00 PIK3CA (0.59) PIK3CAPIK3CDPIK3CG
SCHEMBL11967454 0.90 PIK3CA (0.62) PIK3CAPIK3CDPIK3CG
SCHEMBL11967379 0.89 PIK3CA (0.64) PIK3CAPIK3CDPIK3CG
SCHEMBL12829702 0.83 PIK3CA (0.63) PIK3CAPIK3CDPIK3CG
SCHEMBL12689239 0.82 PIK3CA (0.57) PIK3CAPIK3CDPIK3CG
SCHEMBL1485287 0.82 PIK3CA (0.57) PIK3CAPIK3CDPIK3CG
SCHEMBL1485463 0.82 PIK3CA (0.57) PIK3CAPIK3CDPIK3CG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483278-B1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2013-12-25 EP claimed
EP-2845592-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
EP-2711368-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
WO-2012156379-A1 PIK3/P110α INHIBITORS FOR PREVENTION OF RESTENOSIS BY APPLICATION AS AN IMPLANT COATING Universität Zürich (CH) 2012-11-22 WO disclosed