SCHEMBL8084155

SCHEMBL8084155

NC(=S)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.36
PIK3CA P42336 5/20 0.36
PIK3R1 P27986 1/20 0.36
ALDH1A1 P00352 5/20 0.36
TP53 P04637 1/20 0.36
TYR P14679 1/20 0.36
TSHR P16473 1/20 0.36
TAS2R38 P59533 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATR Q13535 2/20 0.36
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL8091293 0.91 MAPT (0.42) MAPTKDM4EHTTCNR2PIK3CA
SCHEMBL8097689 0.90 ALDH1A1 (0.40) PIK3CAPIK3R1ALDH1A1PIK3CDMTOR
SCHEMBL8099045 0.89 MAPT (0.39) MAPTKDM4EHTTCNR2PIK3CA
SCHEMBL8084166 0.87 ALDH1A1 (0.45) MAPTKDM4EHTTPIK3CAALDH1A1
SCHEMBL8092307 0.86 PIK3CA (0.39) MAPTKDM4EHTTPIK3CAPIK3R1
SCHEMBL8090246 0.86 PIK3CA (0.42) MAPTKDM4EHTTCNR2PIK3CA
SCHEMBL8092498 0.86 PIK3CD (0.49) MAPTKDM4EHTTPIK3CAALDH1A1
SCHEMBL8084829 0.85 ATR (0.41) MAPTKDM4EPIK3CAALDH1A1ATR
SCHEMBL8092502 0.84 PIK3CD (0.45) MAPTKDM4EPIK3CAALDH1A1THRB
SCHEMBL8097463 0.84 PIK3CA (0.39) MAPTKDM4EHTTCNR2PIK3CA

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