SCHEMBL3926488

SCHEMBL3926488

Cc1csc(S(=O)(=O)C2CC2c2cc(N3CCOC[C@@H]3C)nc(-c3ccc(NC(=S)NCCO)cc3)n2)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.62
PIK3CD O00329 9/20 0.62
MTOR P42345 8/20 0.59
PIK3CB P42338 1/20 0.59
PIK3CG P48736 1/20 0.59
CHEK1 O14757 2/20 0.39
ATR Q13535 2/20 0.39
PDCD1 Q15116 2/20 0.39
ATRIP Q8WXE1 2/20 0.39
CD274 Q9NZQ7 2/20 0.39

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
SCHEMBL3935715 0.93 MTOR (0.63) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3927459 0.89 PIK3CA (0.62) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926690 0.89 MTOR (0.57) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3927064 0.87 MTOR (0.55) PIK3CAPIK3CDMTOR
SCHEMBL3929252 0.87 PIK3CA (0.62) PIK3CAPIK3CDMTOR
SCHEMBL3924111 0.87 PIK3CA (0.55) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926913 0.86 PIK3CA (0.53) PIK3CAPIK3CDMTOR
SCHEMBL3926434 0.85 MTOR (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929141 0.84 PIK3CA (0.49) PIK3CAPIK3CDMTOR
SCHEMBL3927636 0.84 PIK3CA (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed