SCHEMBL4730264

SCHEMBL4730264

Nc1ccc(-c2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.71
PIK3CA P42336 8/20 0.57
PIK3CD O00329 8/20 0.57
PIK3CG P48736 6/20 0.57
PIK3R1 P27986 5/20 0.57
MTOR P42345 2/20 0.57
PIK3C2B O00750 1/20 0.57
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4730055 0.88 PIK3CB (0.66) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4780048 0.87 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL13247341 0.87 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL3986858 0.85 PIK3CB (0.75) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL994395 0.84 PIK3CB (0.69) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4784099 0.84 PIK3CB (0.72) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4727014 0.83 PIK3CB (0.59) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4726750 0.82 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL13247953 0.82 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL374936 0.82 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1

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-2008032077-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed