SCHEMBL8091293

SCHEMBL8091293

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
CNR2 P34972 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
ATR Q13535 2/20 0.36
KIF11 P52732 1/20 0.36
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SETD7 Q8WTS6 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
SCHEMBL8097463 0.93 PIK3CA (0.39) MAPTKDM4EHTTCNR2ATR
SCHEMBL8084155 0.91 MAPT (0.39) MAPTKDM4EHTTCNR2MEN1
SCHEMBL8090868 0.91 MTOR (0.38) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8083200 0.90 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KIF11CA1
SCHEMBL8090246 0.89 PIK3CA (0.42) MAPTKDM4EHTTCNR2MEN1
SCHEMBL8097966 0.88 KIF11 (0.37) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8085029 0.87 KIF11 (0.38) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8106295 0.86 CA12 (0.42) MAPTKDM4EHTTCNR2MEN1
SCHEMBL8083416 0.86 PIK3R1 (0.39) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8084982 0.86 KIF11 (0.38) HTTMEN1KMT2AALDH1A1NPSR1

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