SCHEMBL8084829

SCHEMBL8084829

CS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(N)=S)cc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.41
PIK3CD O00329 10/20 0.38
PIK3CA P42336 5/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KIF11 P52732 1/20 0.33
POLB P06746 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
SCHEMBL8083616 0.90 ATR (0.42) ATRPIK3CDPIK3CAMTORALDH1A1
SCHEMBL8097448 0.86 PIK3CA (0.43) ATRPIK3CDPIK3CAMTORPIK3CG
SCHEMBL8083011 0.86 ATR (0.39) ATRPIK3CDPIK3CAMTORALDH1A1
SCHEMBL8103635 0.86 ATR (0.39) ATRPIK3CDPIK3CAMTORALDH1A1
SCHEMBL8084155 0.85 MAPT (0.39) ATRPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL8091635 0.85 ATR (0.47) ATRPIK3CDPIK3CAMTORPIK3CG
SCHEMBL8096243 0.85 PIK3CD (0.46) ATRPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL8096240 0.84 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8097689 0.83 ALDH1A1 (0.40) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8092197 0.83 PIK3CD (0.49) ATRPIK3CDPIK3CAPIK3CBMTOR

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