SCHEMBL8098832

SCHEMBL8098832

Nc1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=O)NC3(CO)CC3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
NAMPT P43490 4/20 0.36
CNR2 P34972 1/20 0.35
PIK3CD O00329 4/20 0.34
PIK3CA P42336 2/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATR Q13535 1/20 0.33
LMNA P02545 1/20 0.33
IGF1R P08069 1/20 0.33
CA12 O43570 1/20 0.32

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
SCHEMBL8093027 0.92 NAMPT (0.35) NAMPTPIK3CDPIK3CAMTORPIK3CG
SCHEMBL8092862 0.87 PIK3CD (0.40) MAPTKDM4EPIK3CDPIK3CAMEN1
SCHEMBL8090246 0.86 PIK3CA (0.42) MAPTKDM4EHTTNAMPTCNR2
SCHEMBL8083986 0.85 CA2 (0.39) MAPTKDM4EHTTNAMPTPIK3CD
SCHEMBL8091293 0.85 MAPT (0.42) MAPTKDM4EHTTNAMPTCNR2
SCHEMBL8100826 0.85 NAMPT (0.40) MAPTKDM4EHTTNAMPTPIK3CD
SCHEMBL8084600 0.85 PIK3CD (0.45) MAPTKDM4EPIK3CDPIK3CAMEN1
SCHEMBL8089052 0.85 CA2 (0.41) MAPTKDM4EHTTNAMPTPIK3CD
SCHEMBL8096233 0.84 PIK3CD (0.40) MAPTKDM4EHTTNAMPTPIK3CD
SCHEMBL8097581 0.84 MAPT (0.38) MAPTKDM4EHTTNAMPTPIK3CD

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