SCHEMBL8097048

SCHEMBL8097048

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccc(N)cc3Cl)CC2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.51
PIK3CA P42336 3/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
ATR Q13535 19/20 0.50
ATRIP Q8WXE1 6/20 0.50
TAF1 P21675 3/20 0.50
PRKDC P78527 2/20 0.50
KCNH2 Q12809 2/20 0.50
PIK3R1 P27986 1/20 0.50
ATM Q13315 1/20 0.50
CHEK1 O14757 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 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
SCHEMBL4205928 0.92 ATR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4204062 0.92 MTOR (0.49) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4198804 0.92 ATR (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL8100925 0.90 ATR (0.52) MTORPIK3CAATRATRIPTAF1
SCHEMBL8100250 0.88 PIK3CA (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL8098740 0.88 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4198817 0.87 ATR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4215148 0.87 ATR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4202082 0.86 ATR (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL8100240 0.86 PIK3CA (0.51) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed