SCHEMBL8089670

SCHEMBL8089670

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)CCCO)CC2)nc(-c2ccc(NO)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.62
PIK3CD O00329 6/20 0.62
MTOR P42345 6/20 0.62
PIK3CB P42338 1/20 0.62
PIK3CG P48736 1/20 0.62
ATR Q13535 12/20 0.49
TAF1 P21675 3/20 0.48
ATRIP Q8WXE1 3/20 0.48
PRKDC P78527 2/20 0.48
KCNH2 Q12809 2/20 0.47
PIK3R1 P27986 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL3937341 0.90 PIK3CA (0.63) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4197261 0.90 PIK3CA (0.57) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3930012 0.89 PIK3CA (0.70) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3925109 0.88 MTOR (0.65) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3928552 0.88 PIK3CA (0.66) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929080 0.88 MTOR (0.69) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929959 0.88 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3935223 0.88 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3925997 0.88 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3925970 0.88 PIK3CA (0.62) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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