SCHEMBL8089937

SCHEMBL8089937

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.39
MTOR P42345 2/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PEPD P12955 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33

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
SCHEMBL8083332 0.88 KIF11 (0.35) KIF11ALDH1A1MEN1MAPTHPGD
SCHEMBL8090988 0.87 MTOR (0.44) MTORALDH1A1MEN1MAPTHPGD
SCHEMBL8099890 0.85 GHSR (0.39) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL8091600 0.83 PIK3CA (0.40) MTOR
SCHEMBL8083982 0.83 PIK3CD (0.34) MTORALDH1A1MEN1MAPTHPGD
SCHEMBL8091234 0.83 ALDH1A1 (0.39) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL8096884 0.82 KDM4E (0.39) MTORALDH1A1MEN1MAPTHPGD
SCHEMBL8095224 0.81 PIK3CD (0.34) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL8091208 0.79 PIK3CD (0.44) MTORALDH1A1MEN1MAPTHPGD
SCHEMBL8083616 0.79 ATR (0.42) KIF11MTORALDH1A1MEN1MAPT

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