SCHEMBL8096057

SCHEMBL8096057

Cn1cc(NC(=O)Nc2ccc(-c3nc(N)cc(C4(S(C)(=O)=O)CCOCC4)n3)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.43
PIK3CA P42336 9/20 0.42
PIK3CD O00329 6/20 0.42
ATR Q13535 2/20 0.42
PIK3CG P48736 6/20 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
SCHEMBL8091693 0.92 MTOR (0.40) MTORPIK3CAPIK3CDATR
SCHEMBL8089909 0.91 MTOR (0.45) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL8083835 0.90 MTOR (0.39) MTORPIK3CAPIK3CDATR
SCHEMBL8092043 0.86 MTOR (0.49) MTORPIK3CAPIK3CDATRPIK3CG
SCHEMBL4207747 0.85 ATR (0.62) MTORPIK3CAPIK3CDATR
SCHEMBL8097088 0.83 TSHR (0.47) PIK3CAPIK3CD
SCHEMBL4205462 0.83 MTOR (0.58) MTORPIK3CAPIK3CDATRPIK3CG
SCHEMBL8083872 0.82 PIK3CA (0.50) MTORPIK3CAPIK3CDATRPIK3CG
SCHEMBL8091635 0.80 ATR (0.47) MTORPIK3CAPIK3CDATRPIK3CG
SCHEMBL8089194 0.80 MTOR (0.38) MTORPIK3CD

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