SCHEMBL908601

SCHEMBL908601

CN(c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3c(O[Si](C)(C)C(C)(C)C)cccc32)n1)C1CCN(C(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.65
PIK3CD O00329 18/20 0.65
PIK3R1 P27986 18/20 0.65
PIK3CB P42338 15/20 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
SCHEMBL6524674 0.92 PIK3CA (0.63) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL910316 0.90 PIK3CA (0.79) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL910057 0.86 PIK3CA (0.77) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL6523951 0.86 PIK3CA (0.77) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2815848 0.84 PIK3CA (0.74) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL6517222 0.84 PIK3CA (0.60) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL909204 0.82 PIK3CA (0.75) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL6525372 0.82 PIK3CA (0.78) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL6526256 0.82 PIK3CA (0.78) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL909962 0.81 PIK3CD (0.61) 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 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