SCHEMBL4301766

SCHEMBL4301766

CC1COCCN1c1cc(CS(=O)(=O)c2ccc(F)c(Cl)c2)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PIK3CA P42336 8/20 0.46
PIK3CD O00329 3/20 0.46
MTOR P42345 5/20 0.44
ATR Q13535 8/20 0.41
ATRIP Q8WXE1 8/20 0.41
CHEK1 O14757 6/20 0.39
PDCD1 Q15116 6/20 0.39
CD274 Q9NZQ7 6/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
POLQ O75417 1/20 0.39

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
SCHEMBL4206582 1.00 POLB (0.47) POLBPIK3CAPIK3CDMTORATR
SCHEMBL4201332 0.93 POLB (0.48) POLBPIK3CAPIK3CDMTORATR
SCHEMBL3597871 0.89 PIK3CA (0.50) POLBPIK3CAPIK3CDMTORATR
SCHEMBL3596530 0.89 POLB (0.59) POLBPIK3CAPIK3CDMTORATR
SCHEMBL4198692 0.87 PIK3CA (0.50) POLBPIK3CAPIK3CDMTORATR
SCHEMBL4211899 0.86 POLB (0.53) POLBPIK3CAPIK3CDMTORATR
SCHEMBL3601143 0.86 PIK3CA (0.46) POLBPIK3CAPIK3CDMTORATR
SCHEMBL8093576 0.85 PIK3CA (0.50) POLBPIK3CAPIK3CDMTORATR
SCHEMBL739607 0.85 PIK3CA (0.52) POLBPIK3CAPIK3CDMTORATR
SCHEMBL3595007 0.84 ATR (0.50) POLBPIK3CAPIK3CDMTORATR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed