SCHEMBL8082701

SCHEMBL8082701

Nc1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)NCC(F)F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.44
PIK3CA P42336 9/20 0.44
MTOR P42345 7/20 0.44
PIK3CG P48736 2/20 0.44
PIK3CB P42338 1/20 0.44
NAMPT P43490 1/20 0.32

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
SCHEMBL8091267 0.88 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8091758 0.88 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8089128 0.86 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8099039 0.86 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8099965 0.85 NAMPT (0.39) PIK3CDPIK3CANAMPT
SCHEMBL8094369 0.84 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8097552 0.84 PIK3CA (0.44) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8084799 0.84 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8090008 0.84 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8097253 0.83 PIK3CD (0.36) PIK3CDPIK3CAMTORNAMPT

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