SCHEMBL628408

SCHEMBL628408

CN(C)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4C5CCC4CC(=O)C5)cc(N4C[C@@H]5C[C@H]4CO5)n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.55
MTOR P42345 13/20 0.55
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 2/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL629154 0.92 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL628343 0.80 PIK3CA (0.68) PIK3CAMTORPIK3R1ATM
SCHEMBL628184 0.80 MTOR (0.68) PIK3CAMTOR
SCHEMBL629552 0.79 PIK3CA (0.57) PIK3CAMTORPIK3CD
SCHEMBL628005 0.79 PIK3CA (0.57) PIK3CAMTORPIK3CD
SCHEMBL628458 0.76 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL628719 0.76 PIK3CA (0.66) PIK3CAMTOR
SCHEMBL629722 0.76 PIK3CA (0.66) PIK3CAMTOR
SCHEMBL628076 0.73 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL1409805 0.71 PIK3CA (1.00) PIK3CAMTORPIK3CD

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-2419432-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2012-02-22 EP disclosed
WO-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed