SCHEMBL4780048

SCHEMBL4780048

O=C(O)c1ccc(-c2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.67
PIK3CD O00329 14/20 0.54
PIK3CA P42336 13/20 0.54
PIK3CG P48736 12/20 0.54
PIK3R1 P27986 4/20 0.54
PIK3C2B O00750 1/20 0.54
MTOR P42345 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL4730264 0.87 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3987613 0.87 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4727581 0.86 PIK3CB (0.67) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4727046 0.85 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4727014 0.84 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL13247953 0.82 PIK3CB (0.80) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4730055 0.82 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL994395 0.81 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL13247341 0.80 PIK3CB (0.80) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4726750 0.80 PIK3CB (0.80) 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-2008032077-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed