SCHEMBL2471386

SCHEMBL2471386

O=C(O)Oc1cccc(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.73
PIK3CB P42338 3/20 0.53
PIK3CD O00329 2/20 0.53
PIK3CG P48736 3/20 0.51
MTOR P42345 1/20 0.47

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
SCHEMBL1823012 0.94 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1821426 0.91 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1821358 0.90 PIK3CA (0.68) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1818941 0.90 PIK3CA (0.68) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1820722 0.88 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1818879 0.87 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1821566 0.87 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1821567 0.87 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1820931 0.84 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1822740 0.84 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP claimed