SCHEMBL8092236

SCHEMBL8092236

Nc1cc(C2(S(=O)(=O)c3ccccc3)CCOCC2)nc(-c2ccc(NC(=O)NCCO)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.44
MTOR P42345 9/20 0.44
PIK3CD O00329 11/20 0.42
PIK3CG P48736 4/20 0.42
PIK3CB P42338 1/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8092406 0.92 PIK3CA (0.41) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8084013 0.92 PIK3CA (0.41) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8083160 0.92 PIK3CD (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8083986 0.89 CA2 (0.39) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8083872 0.88 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8083993 0.87 CA2 (0.38) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8104820 0.87 CA2 (0.38) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8089052 0.87 CA2 (0.41) PIK3CAPIK3CDCA12CA1CA2
SCHEMBL8097463 0.87 PIK3CA (0.39) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL8089003 0.86 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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