SCHEMBL8098740

SCHEMBL8098740

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccc(N)cc3)CC2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.53
PIK3CA P42336 3/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
ATR Q13535 19/20 0.52
ATRIP Q8WXE1 5/20 0.52
TAF1 P21675 3/20 0.52
KCNH2 Q12809 2/20 0.52
PRKDC P78527 2/20 0.52
PIK3R1 P27986 1/20 0.52
ATM Q13315 1/20 0.52
CHEK1 O14757 2/20 0.50
PDCD1 Q15116 2/20 0.50
CD274 Q9NZQ7 2/20 0.50

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
SCHEMBL4203464 0.96 MTOR (0.51) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4203890 0.96 ATR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4198817 0.96 ATR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4207176 0.95 ATR (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4210713 0.95 ATR (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4195819 0.94 ATR (0.54) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4201065 0.93 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3931208 0.92 ATR (0.50) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4208073 0.92 ATR (0.49) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4204441 0.92 ATR (0.49) 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