SCHEMBL6131798

SCHEMBL6131798

O=C(Oc1ccccc1-c1cc(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)n1)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3CD O00329 2/20 0.66
PIK3CB P42338 2/20 0.66
PIK3CG P48736 1/20 0.66

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
SCHEMBL6131800 0.90 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL6131796 0.89 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1821609 0.83 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1821854 0.81 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2493156 0.79 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1822175 0.78 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL6131803 0.78 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1822731 0.77 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1821106 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1821372 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG

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-1575940-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-09-21 EP disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed