SCHEMBL913265

SCHEMBL913265

CS(=O)(=O)N(CCCOc1cccc2c1nc(C(F)F)n2-c1nc(OC2CCNCC2)nc(N2CCOCC2)n1)S(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.65
PIK3R1 P27986 16/20 0.65
PIK3CA P42336 16/20 0.65
PIK3CB P42338 14/20 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
SCHEMBL6522577 0.91 PIK3CB (0.78) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL909554 0.87 PIK3CB (0.77) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477307 0.86 PIK3CD (0.82) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL477305 0.85 PIK3CD (0.81) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2789864 0.84 PIK3CA (0.78) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL910322 0.82 PIK3CD (0.76) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL910301 0.82 PIK3CD (0.75) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477377 0.81 PIK3CB (0.90) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL6518590 0.80 PIK3CD (0.72) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL12790095 0.80 PIK3CD (0.70) 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 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