SCHEMBL909478

SCHEMBL909478

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.81
PIK3CB P42338 7/20 0.81
PIK3CD O00329 5/20 0.75
PIK3R1 P27986 5/20 0.75
PIK3CG P48736 1/20 0.67

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
SCHEMBL909918 0.91 PIK3CB (0.83) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL12847243 0.91 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL477297 0.91 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL909981 0.91 PIK3CA (0.78) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL3563102 0.90 PIK3CB (1.00) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL477337 0.90 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL910091 0.90 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL909399 0.90 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL909178 0.89 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL908347 0.89 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG

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-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO disclosed