SCHEMBL8098332

SCHEMBL8098332

CCCNC(=O)Nc1ccc(-c2nc(N)cc(CS(=O)(=O)CC)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.48
PIK3CD O00329 4/20 0.48
MTOR P42345 4/20 0.46
KDR P35968 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
GHSR Q92847 1/20 0.40
MAPT P10636 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 1/20 0.39
KIT P10721 1/20 0.39
NAMPT P43490 1/20 0.39
PIK3CG P48736 1/20 0.39
PTPN7 P35236 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
SCHEMBL8215121 0.93 PIK3CA (0.56) PIK3CAPIK3CDMTORKDRMEN1
SCHEMBL8091889 0.91 PIK3CA (0.48) PIK3CAPIK3CDMTORKDRMEN1
SCHEMBL8216933 0.90 PIK3CA (0.45) PIK3CAPIK3CDMTORKDRMEN1
SCHEMBL8098329 0.90 PIK3CA (0.55) PIK3CAPIK3CDMTORKDRPIK3CG
SCHEMBL11926139 0.89 PIK3CA (0.47) PIK3CAPIK3CDMTORKDRMEN1
SCHEMBL8206190 0.85 PIK3CD (0.43) PIK3CAPIK3CDMTORMEN1KMT2A
SCHEMBL8215045 0.85 PIK3CA (0.54) PIK3CAPIK3CDMTORKDRGHSR
SCHEMBL8211601 0.85 PIK3CA (0.48) PIK3CAPIK3CDMTORKDRMEN1
SCHEMBL8084637 0.85 CA12 (0.45) PIK3CAPIK3CDMTORMEN1KMT2A
SCHEMBL8206121 0.84 PIK3CA (0.62) PIK3CAPIK3CDMTORKDRMEN1

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