SCHEMBL4572977

SCHEMBL4572977

FC(F)(F)c1nc2ccccc2n1-c1cc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.73
PIK3CA P42336 6/20 0.52
PIK3CD O00329 6/20 0.52
PIK3CG P48736 5/20 0.52
PIK3R1 P27986 3/20 0.52
PIK3C2B O00750 1/20 0.52
MTOR P42345 1/20 0.52
CHEK1 O14757 1/20 0.47
ATR Q13535 1/20 0.47
PDCD1 Q15116 1/20 0.47
ATRIP Q8WXE1 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3591348 0.92 PIK3CB (0.71) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4573169 0.83 PIK3CB (0.81) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL29434923 0.83 PIK3CB (0.81) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL948460 0.78 PIK3CB (0.85) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4306313 0.77 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
Hydrochloric Acid SCHEMBL3598484 0.76 PIK3CB (0.66) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL1431382 0.75 PIK3CB (0.79) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL1430841 0.74 PIK3CB (0.78) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4844051 0.74 PIK3CB (0.55) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4729576 0.74 PIK3CB (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008032036-A1 6-BENZIMIDAZ0LYL-2-M0RPH0LIN0-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032033-A1 4-BENZIMIDAZOLYL-2-MORPHOLINO-6-PIPERAZINYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed