SCHEMBL8092043

SCHEMBL8092043

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(C)(=O)=O)CCOCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.49
PIK3CA P42336 8/20 0.49
PIK3CG P48736 3/20 0.49
PIK3CD O00329 9/20 0.46
ATR Q13535 3/20 0.44

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
SCHEMBL8097448 0.93 PIK3CA (0.43) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL8098293 0.91 PIK3CA (0.42) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL8097556 0.91 PIK3CA (0.42) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL8083874 0.90 MTOR (0.47) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8090739 0.88 PIK3CA (0.40) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL8083872 0.88 PIK3CA (0.50) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL8090907 0.88 MTOR (0.46) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8090158 0.86 MTOR (0.46) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8096057 0.86 MTOR (0.43) MTORPIK3CAPIK3CGPIK3CDATR
SCHEMBL8083867 0.86 PIK3CA (0.52) MTORPIK3CAPIK3CGPIK3CD

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