SCHEMBL4002407

SCHEMBL4002407

CNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C3(S(=O)(=O)c4ccc(C#N)cc4Cl)CC3)n2)cc1.C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccc(C(N)=O)cc3Cl)CC2)nc(-c2ccc(NC(=O)NCCO)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.55
PIK3CA P42336 9/20 0.55
PIK3CD O00329 7/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
ATR Q13535 1/20 0.39
KCNH2 Q12809 1/20 0.39
RICTOR Q6R327 1/20 0.39
RPTOR Q8N122 1/20 0.39
MAPKAP1 Q9BPZ7 1/20 0.39
MLST8 Q9BVC4 1/20 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
SCHEMBL4203898 0.94 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4200189 0.93 MTOR (0.63) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4204103 0.91 PIK3CA (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3932807 0.90 PIK3CA (0.54) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4208764 0.88 PIK3CA (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3924153 0.88 PIK3CA (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4203754 0.88 PIK3CA (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4200493 0.87 PIK3CA (0.60) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4197795 0.85 PIK3CA (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3929293 0.84 MTOR (0.64) 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 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