SCHEMBL8095869

SCHEMBL8095869

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.46
PIK3CD O00329 6/20 0.46
MTOR P42345 4/20 0.45
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
TERT O14746 1/20 0.36
LDHA P00338 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
SCHEMBL8086546 0.89 PIK3CD (0.50) PIK3CAPIK3CDMTORALDH1A1KMT2A
SCHEMBL8101525 0.87 TP53 (0.51) PIK3CAPIK3CDMTORALDH1A1KMT2A
SCHEMBL8093349 0.85 PIK3CD (0.48) PIK3CAPIK3CDMTORALDH1A1KMT2A
SCHEMBL8101524 0.85 MEN1 (0.54) PIK3CAPIK3CDMTORALDH1A1KMT2A
SCHEMBL8109730 0.84 PIK3CD (0.45) PIK3CAPIK3CDMTORALDH1A1KMT2A
SCHEMBL8106097 0.84 PIK3CA (0.46) PIK3CAPIK3CDMTORALDH1A1KMT2A
SCHEMBL8099598 0.83 PIK3CD (0.45) PIK3CAPIK3CDMTORALDH1A1KMT2A
SCHEMBL8206121 0.83 PIK3CA (0.62) PIK3CAPIK3CDMTORALDH1A1KMT2A
SCHEMBL8215121 0.83 PIK3CA (0.56) PIK3CAPIK3CDMTORKMT2AMEN1
SCHEMBL8103980 0.83 PIK3CA (0.47) PIK3CAPIK3CDMTORALDH1A1KMT2A

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-2009007749-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed