SCHEMBL8083160

SCHEMBL8083160

Nc1cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)nc(-c2ccc(NC(=O)NCCO)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.43
PIK3CA P42336 11/20 0.43
MTOR P42345 5/20 0.43
PIK3CG P48736 4/20 0.42
PIK3CB P42338 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8098775 0.94 CA1 (0.43) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8092236 0.92 PIK3CA (0.44) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8093573 0.91 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8092289 0.89 CA1 (0.41) PIK3CDPIK3CAMTORCA1CA2
SCHEMBL8090158 0.88 MTOR (0.46) PIK3CDPIK3CAMTORPIK3CGCA1
SCHEMBL8083872 0.87 PIK3CA (0.50) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8089003 0.85 PIK3CA (0.56) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8090241 0.85 NAMPT (0.43) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8083924 0.85 PIK3CA (0.44) PIK3CDPIK3CAMTORPIK3CGCA1
SCHEMBL8093138 0.84 NAMPT (0.40) PIK3CDPIK3CAMTORPIK3CGPIK3CB

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