SCHEMBL4779460

SCHEMBL4779460

CCN1C(=O)N(C)c2cnc(Nc3cccc(Br)c3)nc2N1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.54
PLK3 Q9H4B4 9/20 0.54
CCNA2 P20248 3/20 0.45
CDK2 P24941 3/20 0.45
CCNA1 P78396 2/20 0.45
PLK2 Q9NYY3 8/20 0.44
BRD4 O60885 2/20 0.44
MAPK7 Q13164 2/20 0.44
PARP1 P09874 1/20 0.43
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
MARK3 P27448 2/20 0.41
MARK4 Q96L34 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL4798215 0.91 PLK1 (0.55) PLK1PLK3CCNA2CDK2PLK2
SCHEMBL4731693 0.89 PLK1 (0.54) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL4730395 0.89 PLK1 (0.54) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL14221001 0.89 PLK1 (0.54) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL4784197 0.89 PLK1 (0.56) PLK1PLK3CCNA2CDK2PLK2
SCHEMBL4784694 0.89 PLK1 (0.59) PLK1PLK3CCNA2CDK2CCNA1
SCHEMBL4780462 0.89 PLK1 (0.53) PLK1PLK3CCNA2CDK2PLK2
SCHEMBL4782734 0.88 PLK1 (0.52) PLK1PLK3CCNA2CDK2CCNA1
SCHEMBL4781932 0.88 PLK1 (0.52) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL4782049 0.87 PLK1 (0.55) PLK1PLK3PLK2BRD4MAPK7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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