SCHEMBL4779006

SCHEMBL4779006

CC(C)(C)OC(=O)NC1CCN(c2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.66
PIK3CD O00329 11/20 0.56
PIK3CA P42336 8/20 0.56
PIK3CG P48736 8/20 0.56
PIK3R1 P27986 2/20 0.52
PIK3C2B O00750 1/20 0.52
MTOR P42345 1/20 0.52

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
SCHEMBL3601337 0.96 PIK3CB (0.67) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4783074 0.92 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124304 0.90 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124531 0.90 PIK3CD (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10153888 0.89 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124322 0.88 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124320 0.87 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10125669 0.87 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124713 0.87 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124923 0.86 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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
WO-2008032041-A1 PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST PI3K ENZYMES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed