SCHEMBL8098261

SCHEMBL8098261

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.43
PIK3CA P42336 7/20 0.43
PIK3CG P48736 3/20 0.43
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PIK3CD O00329 3/20 0.37
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8095600 0.89 CA12 (0.39) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL8090594 0.87 PIK3CD (0.40) MTORPIK3CAPIK3CGKMT2AMEN1
SCHEMBL8103978 0.86 ABL1 (0.37)
SCHEMBL8092884 0.86 KDR (0.41) PIK3CAPIK3CD
SCHEMBL8089827 0.85 PIK3CD (0.37) MTORPIK3CAPIK3CGMAPTPIK3CD
SCHEMBL8083714 0.85 EPHX1 (0.45) ALDH1A1KMT2AMEN1
SCHEMBL8081794 0.84 PIK3CA (0.44) MTORPIK3CAPIK3CG
SCHEMBL8092878 0.83 NPC1 (0.46) MTORPIK3CAKMT2AMEN1MAPT
SCHEMBL8090988 0.81 MTOR (0.44) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL8097448 0.80 PIK3CA (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