SCHEMBL2467297

SCHEMBL2467297

Oc1cccc(-c2cc(Nc3cccc4cccnc34)nc(N3CCOCC3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.67
PIK3CB P42338 7/20 0.62
PIK3CG P48736 6/20 0.62
MTOR P42345 1/20 0.60
PIK3CD O00329 2/20 0.60

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
SCHEMBL1820693 0.86 PIK3CA (0.75) PIK3CAPIK3CBPIK3CGMTORPIK3CD
SCHEMBL1821931 0.85 PIK3CA (0.77) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL2466229 0.84 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGMTORPIK3CD
SCHEMBL2467294 0.83 PIK3CA (0.78) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL2468036 0.83 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGMTORPIK3CD
SCHEMBL1822162 0.82 PIK3CA (0.73) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1819510 0.81 PIK3CA (0.89) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1823444 0.81 PIK3CA (0.68) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1827536 0.81 PIK3CA (0.88) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1826851 0.81 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CD

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