SCHEMBL1409183

SCHEMBL1409183

Cc1cc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOC45CCCCC5)n3)cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.58
MTOR P42345 20/20 0.58
PIK3CG P48736 17/20 0.58
PIK3CD O00329 1/20 0.52
PIK3CB P42338 1/20 0.52

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
SCHEMBL32266 0.88 MTOR (0.74) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL32273 0.86 PIK3CA (0.63) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL1409088 0.85 PIK3CA (0.64) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL1409229 0.83 PIK3CA (0.64) PIK3CAMTORPIK3CG
SCHEMBL1409234 0.81 PIK3CA (0.68) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL32307 0.80 PIK3CA (0.72) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL32190 0.77 PIK3CA (0.64) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL32420 0.76 MTOR (0.91) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL32289 0.75 PIK3CA (1.00) PIK3CAMTORPIK3CG
SCHEMBL32400 0.75 MTOR (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3CB

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-2294072-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2011-03-16 EP disclosed
WO-2009143313-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH (US) 2009-11-26 WO disclosed