SCHEMBL8091090

SCHEMBL8091090

Nc1cc(C2(S(=O)(=O)C3CCOC3)CC2)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.45
PIK3CA P42336 9/20 0.45
MTOR P42345 6/20 0.45
PIK3CG P48736 2/20 0.45
PIK3CB P42338 1/20 0.45
RICTOR Q6R327 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
ATR Q13535 2/20 0.36
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL8095567 0.91 PIK3CD (0.45) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8091084 0.90 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8092188 0.90 PIK3CA (0.45) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8090939 0.89 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8084603 0.89 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8083021 0.87 PIK3CD (0.55) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8091695 0.87 CA12 (0.41) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8081909 0.87 CA12 (0.41) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8096200 0.85 EPHX1 (0.47) CA12CA1CA2CA9
SCHEMBL8092629 0.85 MTOR (0.48) 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