SCHEMBL4784598

SCHEMBL4784598

CCN1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)Nc4ccc5cn[nH]c5c4)cc3)nc2N1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.53
PLK3 Q9H4B4 10/20 0.53
PLK2 Q9NYY3 9/20 0.53
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.42
STK3 Q13188 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3C2G O75747 2/20 0.41
PIK3CG P48736 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
STK4 Q13043 4/20 0.41

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
SCHEMBL4782235 0.91 PLK1 (0.52) PLK1PLK3PLK2
SCHEMBL4784433 0.85 PLK1 (0.52) PLK1PLK3PLK2AURKAAURKB
SCHEMBL4854326 0.82 PLK1 (0.67) PLK1PLK3PLK2STK3PIK3CD
SCHEMBL4783376 0.81 PLK1 (0.53) PLK1PLK3PLK2STK4
SCHEMBL4783143 0.81 PLK1 (0.70) PLK1PLK3PLK2STK3STK4
SCHEMBL4799693 0.81 PLK1 (0.54) PLK1PLK3PLK2STK4
SCHEMBL4729390 0.80 PLK1 (0.56) PLK1PLK3PLK2STK4
SCHEMBL4782049 0.79 PLK1 (0.55) PLK1PLK3PLK2AURKB
SCHEMBL14221001 0.79 PLK1 (0.54) PLK1PLK3PLK2STK4
SCHEMBL4784197 0.78 PLK1 (0.56) PLK1PLK3PLK2CYP1A2CYP3A4

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-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed