SCHEMBL8090988

SCHEMBL8090988

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(SO)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.44
PIK3CA P42336 6/20 0.44
PIK3CG P48736 3/20 0.44
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PIK3CD O00329 3/20 0.37
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP2C19 P33261 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
SCHEMBL8099890 0.88 GHSR (0.39) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL8089937 0.87 KIF11 (0.39) MTORALDH1A1KMT2AMEN1MAPT
SCHEMBL8091234 0.87 ALDH1A1 (0.39) PIK3CAALDH1A1KMT2AMEN1MAPT
SCHEMBL8095224 0.85 PIK3CD (0.34) PIK3CAALDH1A1KMT2AMEN1MAPT
SCHEMBL8083982 0.84 PIK3CD (0.34) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL8091600 0.84 PIK3CA (0.40) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8096884 0.83 KDM4E (0.39) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL8083332 0.83 KIF11 (0.35) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL8097448 0.81 PIK3CA (0.43) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL8098261 0.81 MTOR (0.43) MTORPIK3CAPIK3CGALDH1A1KMT2A

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