SCHEMBL8099656

SCHEMBL8099656

Nc1cc(C2(S(=O)(=O)C3CC3)CCC2)nc(-c2ccc(NC(=O)Nc3cn[nH]c3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
NAMPT P43490 8/20 0.38
ROCK2 O75116 5/20 0.37
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL8093447 0.86 MTOR (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8081909 0.85 CA12 (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8091695 0.83 CA12 (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090008 0.82 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8099455 0.81 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093006 0.81 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8097552 0.81 PIK3CA (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8084799 0.81 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8098313 0.80 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8081910 0.80 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG

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