SCHEMBL8109730

SCHEMBL8109730

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.45
PIK3CA P42336 6/20 0.45
MTOR P42345 4/20 0.44
BRAF P15056 1/20 0.42
MAP4K4 O95819 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CECR2 Q9BXF3 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
LMNA P02545 1/20 0.37
KLK7 P49862 1/20 0.37

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
SCHEMBL8109734 0.90 PIK3CD (0.45) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8103957 0.89 PIK3CD (0.47) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8101525 0.88 TP53 (0.51) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8093349 0.85 PIK3CD (0.48) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8101524 0.85 MEN1 (0.54) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8206485 0.85 PIK3CA (0.52) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8106097 0.85 PIK3CA (0.46) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8099598 0.84 PIK3CD (0.45) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8095869 0.84 PIK3CA (0.46) PIK3CDPIK3CAMTORMEN1KMT2A
SCHEMBL8216577 0.84 ATR (0.42) PIK3CDPIK3CAMTORALDH1A1LMNA

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