SCHEMBL4784151

SCHEMBL4784151

CCN1C(=O)N(C)c2cnc(Nc3cc(C)cc(C)c3)nc2N1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.56
PLK3 Q9H4B4 11/20 0.56
PIP4K2A P48426 1/20 0.47
PIP4K2B P78356 1/20 0.47
PLK2 Q9NYY3 10/20 0.45
BRD4 O60885 3/20 0.44
MAPK7 Q13164 2/20 0.42
DYRK1A Q13627 1/20 0.41
TAF1 P21675 1/20 0.41
VRK1 Q99986 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NUAK1 O60285 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) PLK1PLK3PIP4K2APIP4K2BPLK2
SCHEMBL4779878 0.90 PLK1 (0.54) PLK1PLK3PIP4K2APIP4K2BPLK2
SCHEMBL4729390 0.90 PLK1 (0.56) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL4782849 0.89 PLK1 (0.60) PLK1PLK3PIP4K2APIP4K2BPLK2
SCHEMBL4784197 0.88 PLK1 (0.56) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL4729262 0.87 PLK1 (0.56) PLK1PLK3PIP4K2APIP4K2BPLK2
SCHEMBL4784001 0.87 PLK1 (0.61) PLK1PLK3PIP4K2APIP4K2BPLK2
SCHEMBL4782049 0.87 PLK1 (0.55) PLK1PLK3PIP4K2APIP4K2BPLK2
SCHEMBL14221001 0.86 PLK1 (0.54) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL14221000 0.86 PLK1 (0.51) PLK1PLK3PIP4K2APIP4K2BPLK2

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