SCHEMBL8090868

SCHEMBL8090868

NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccncc4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.38
KIF11 P52732 3/20 0.36
PIK3CA P42336 2/20 0.34
PIK3CG P48736 1/20 0.34
NAMPT P43490 2/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PIK3CD O00329 5/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 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
SCHEMBL8091293 0.91 MAPT (0.42) MTORKIF11PIK3CAPIK3CGNAMPT
SCHEMBL8099749 0.89 MTOR (0.40) MTORPIK3CAPIK3CGNAMPTKMT2A
SCHEMBL8083200 0.89 ALDH1A1 (0.43) MTORKIF11PIK3CAPIK3CGNAMPT
SCHEMBL8097966 0.87 KIF11 (0.37) MTORKIF11PIK3CAPIK3CGNAMPT
SCHEMBL8092850 0.87 CA12 (0.42) MTORPIK3CAPIK3CGNAMPTPIK3CD
SCHEMBL8099405 0.87 EPHX1 (0.42) MTORPIK3CANAMPTKDM4EMEN1
SCHEMBL8085029 0.86 KIF11 (0.38) MTORKIF11PIK3CAIKBKBCHUK
SCHEMBL8090241 0.86 NAMPT (0.43) MTORPIK3CAPIK3CGNAMPTPIK3CD
SCHEMBL8091026 0.85 NAMPT (0.36) MTORKIF11PIK3CANAMPTIKBKB
SCHEMBL8084982 0.85 KIF11 (0.38) KIF11NAMPTMEN1ALDH1A1KMT2A

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