SCHEMBL4726053

SCHEMBL4726053

NC1CCN(c2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.84
PIK3CD O00329 9/20 0.65
PIK3CA P42336 8/20 0.65
PIK3CG P48736 6/20 0.65
PIK3R1 P27986 3/20 0.65
PIK3C2B O00750 1/20 0.65
MTOR P42345 1/20 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
SCHEMBL4731805 1.00 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3589578 0.95 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4730141 0.88 PIK3CB (0.82) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4850621 0.88 PIK3CB (0.82) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4730034 0.86 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4588794 0.86 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL29434924 0.86 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL29434920 0.86 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL374936 0.86 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
Hydrochloric Acid SCHEMBL28720152 0.85 PIK3CB (0.87) 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