SCHEMBL8089909

SCHEMBL8089909

Cn1cc(NC(=O)Nc2ccc(-c3nc(N)cc(C4(S(=O)(=O)C5CC5)CCOCC4)n3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.45
PIK3CA P42336 12/20 0.45
PIK3CD O00329 7/20 0.45
PIK3CG P48736 7/20 0.45
PIK3CB P42338 1/20 0.45
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL8096057 0.91 MTOR (0.43) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL8083874 0.87 MTOR (0.47) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3928555 0.85 PIK3CA (0.54) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3936129 0.85 PIK3CA (0.65) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8092188 0.85 PIK3CA (0.45) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8091693 0.83 MTOR (0.40) MTORPIK3CAPIK3CDDYRK1A
SCHEMBL8092629 0.83 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4205185 0.83 PIK3CA (0.55) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8089003 0.82 PIK3CA (0.56) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3929790 0.82 PIK3CA (0.68) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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