SCHEMBL1044485

SCHEMBL1044485

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CC(N(C(=O)O)C(C)(C)C)C2)n1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.71
PIK3CD O00329 19/20 0.71
PIK3R1 P27986 19/20 0.71
PIK3CB P42338 12/20 0.70

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
SCHEMBL909816 0.90 PIK3CA (0.77) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477724 0.88 PIK3CA (0.66) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL908851 0.87 PIK3CA (0.65) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477476 0.86 PIK3CA (0.71) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1044487 0.85 PIK3CA (0.66) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL909806 0.85 PIK3CA (0.77) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL14999991 0.84 PIK3CA (0.78) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2815274 0.84 PIK3CA (0.67) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL909456 0.84 PIK3CA (0.76) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3563102 0.84 PIK3CB (1.00) PIK3CAPIK3CDPIK3R1PIK3CB

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-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed