SCHEMBL909918

SCHEMBL909918

COc1cccc2c1nc(C(F)F)n2-c1cc(N2CCOCC2)nc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.83
PIK3CA P42336 18/20 0.77
PIK3CD O00329 4/20 0.77
PIK3R1 P27986 4/20 0.77
PIK3CG P48736 2/20 0.68

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
SCHEMBL909478 0.91 PIK3CA (0.81) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL6523363 0.89 PIK3CB (0.76) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL6517150 0.89 PIK3CB (0.76) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL908303 0.87 PIK3CB (0.61) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL910025 0.87 PIK3CB (0.91) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL6518609 0.87 PIK3CB (0.91) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3568141 0.86 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL4523893 0.86 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL4526879 0.85 PIK3CB (0.76) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31156977 0.84 PIK3CA (0.77) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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