SCHEMBL1044487

SCHEMBL1044487

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N(C(=O)O)C2CN(C(C)(C)C)C2)n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3CB P42338 11/20 0.66
PIK3CD O00329 19/20 0.65
PIK3R1 P27986 19/20 0.65

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
SCHEMBL1044485 0.85 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL909816 0.84 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1044486 0.82 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL909806 0.82 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL3563102 0.81 PIK3CB (1.00) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL908463 0.81 PIK3CA (0.74) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL6523951 0.81 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL910057 0.81 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL910316 0.80 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477476 0.80 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3R1

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