SCHEMBL4834705

SCHEMBL4834705

CCN1C(=O)N(C)c2cnc(Nc3ccc(CCO)cc3)nc2N1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.54
PLK3 Q9H4B4 11/20 0.54
PLK2 Q9NYY3 10/20 0.49
MAPK7 Q13164 2/20 0.46
DYRK1A Q13627 1/20 0.46
BRD4 O60885 4/20 0.45
TAF1 P21675 2/20 0.45
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
PARP1 P09874 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 0.89 PLK1 (0.56) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4782067 0.88 PLK1 (0.52) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL14221001 0.87 PLK1 (0.54) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4784197 0.87 PLK1 (0.56) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4887339 0.86 PLK1 (0.62) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4782801 0.85 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4779668 0.85 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4729386 0.85 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4782907 0.85 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4783143 0.85 PLK1 (0.70) PLK1PLK3PLK2

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