SCHEMBL922487

SCHEMBL922487

COc1cccc2c1nc(C(F)F)n2-c1cc2c(cnn2C2CCN(S(=O)(=O)CCl)CC2)c(N2CCOCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.68
PIK3R1 P27986 18/20 0.68
PIK3CA P42336 18/20 0.68
PIK3CB P42338 14/20 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
SCHEMBL910392 0.89 PIK3CD (0.86) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL478238 0.83 PIK3CA (0.60) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2811275 0.81 PIK3R1 (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL909510 0.81 PIK3CD (0.83) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL909088 0.81 PIK3CD (0.83) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477471 0.80 PIK3CD (0.81) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL908624 0.80 PIK3CD (0.83) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL12790101 0.80 PIK3CD (0.71) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477981 0.79 PIK3CA (0.87) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL909577 0.77 PIK3CA (0.88) PIK3CDPIK3R1PIK3CAPIK3CB

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 4 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 claimed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO claimed
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