SCHEMBL4784778

SCHEMBL4784778

CCCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)N(CC)C(=O)N3C)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.54
PLK3 Q9H4B4 10/20 0.54
PLK2 Q9NYY3 9/20 0.48
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
CCND2 P30279 3/20 0.47
CCND3 P30281 3/20 0.47
MAPK7 Q13164 1/20 0.44
DYRK1A Q13627 1/20 0.44
BRD4 O60885 3/20 0.44
TAF1 P21675 2/20 0.44
STK4 Q13043 1/20 0.42
LCK P06239 1/20 0.41
MAPK14 Q16539 1/20 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
SCHEMBL4729390 0.90 PLK1 (0.56) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4782475 0.88 PLK1 (0.54) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4845798 0.88 PLK1 (0.56) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4782801 0.88 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL14221001 0.88 PLK1 (0.54) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4784197 0.88 PLK1 (0.56) PLK1PLK3PLK2CDK4CCND1
SCHEMBL4729386 0.86 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4782907 0.86 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4779668 0.86 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4729262 0.85 PLK1 (0.56) PLK1PLK3PLK2MAPK7DYRK1A

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