SCHEMBL8093959

SCHEMBL8093959

Nc1cc(C2(S(=O)(=O)c3ccc(NCCO)c(F)c3)CC2)nc(-c2ccc(NC(=O)NCCO)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.38
MTOR P42345 4/20 0.38
PIK3CD O00329 7/20 0.36
PIK3CG P48736 2/20 0.36
PIK3CB P42338 1/20 0.36
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
CA4 P22748 3/20 0.36
CA7 P43166 3/20 0.36
NAMPT P43490 3/20 0.34
HDAC3 O15379 1/20 0.34
ACR P10323 1/20 0.33

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
SCHEMBL8093138 0.92 NAMPT (0.40) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8083027 0.91 PIK3CA (0.38) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8082005 0.87 PIK3CA (0.41) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8090705 0.85 NAMPT (0.40) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8100146 0.85 CA1 (0.41) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8098775 0.85 CA1 (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8090241 0.84 NAMPT (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8090391 0.84 CA1 (0.41) PIK3CAMTORPIK3CDCA12CA1
SCHEMBL8091160 0.82 NAMPT (0.38) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3926648 0.82 MTOR (0.61) 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