SCHEMBL1409229

SCHEMBL1409229

N#Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOC45CCCCC5)n3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.64
MTOR P42345 20/20 0.64
PIK3CG P48736 19/20 0.64

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
SCHEMBL1409088 0.86 PIK3CA (0.64) PIK3CAMTORPIK3CG
SCHEMBL32322 0.85 PIK3CA (0.71) PIK3CAMTORPIK3CG
SCHEMBL1409183 0.83 PIK3CA (0.58) PIK3CAMTORPIK3CG
SCHEMBL1409234 0.82 PIK3CA (0.68) PIK3CAMTORPIK3CG
SCHEMBL1431667 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CG
SCHEMBL32179 0.76 MTOR (1.00) PIK3CAMTORPIK3CG
SCHEMBL1309526 0.75 PIK3CA (0.66) PIK3CAMTORPIK3CG
SCHEMBL22193417 0.75 PIK3CA (0.80) PIK3CAMTORPIK3CG
SCHEMBL32350 0.75 PIK3CA (0.84) PIK3CAMTORPIK3CG
SCHEMBL32189 0.75 MTOR (1.00) PIK3CAMTORPIK3CG

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