SCHEMBL12696809

SCHEMBL12696809

Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4C4CCN(C(=O)OC(C)(C)C)C4)cc2OCC3)n(C(C)C)n1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.72
PIK3CA P42336 5/20 0.58
PIK3R2 O00459 1/20 0.58
PIK3C2B O00750 1/20 0.58
PIK3CB P42338 1/20 0.58
MTOR P42345 1/20 0.58
PIK3CG P48736 1/20 0.58
PIK3C3 Q8NEB9 1/20 0.58

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
SCHEMBL12693556 0.97 PIK3CD (0.76) PIK3CDPIK3CAPIK3R2PIK3C2BPIK3CB
SCHEMBL12693555 0.89 PIK3CD (0.57) PIK3CDPIK3CAPIK3R2PIK3C2BPIK3CB
SCHEMBL12539691 0.88 PIK3CD (0.73) PIK3CDPIK3CAPIK3R2PIK3C2BPIK3CB
SCHEMBL12539274 0.86 PIK3CD (0.82) PIK3CDPIK3CAPIK3R2PIK3C2BPIK3CB
SCHEMBL12539273 0.86 PIK3CD (0.82) PIK3CDPIK3CA
SCHEMBL16937472 0.85 PIK3CD (0.85) PIK3CDPIK3CA
SCHEMBL12539276 0.85 PIK3CD (0.80) PIK3CDPIK3CAPIK3R2PIK3C2BPIK3CB
SCHEMBL12539726 0.85 PIK3CD (0.93) PIK3CDPIK3CAPIK3R2PIK3C2BPIK3CB
SCHEMBL12690324 0.84 PIK3CD (0.84) PIK3CDPIK3CA
SCHEMBL12540139 0.84 PIK3CD (0.79) PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9090628-B2 Benzoxazepin compounds selective for PI3K P110 delta and methods of use GENENTECH, INC. (US) 2015-07-28 US disclosed
WO-2012126901-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed