SCHEMBL4781952

SCHEMBL4781952

CCN1C(=O)N(C)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2N1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.53
CCND1 P24385 11/20 0.53
CCND2 P30279 7/20 0.53
CCND3 P30281 7/20 0.53
CDK1 P06493 5/20 0.53
CCNB1 P14635 5/20 0.53
CCNB2 O95067 3/20 0.53
CCNB3 Q8WWL7 3/20 0.53
CCNE1 P24864 5/20 0.53
CDK2 P24941 5/20 0.53
CCNE2 O96020 3/20 0.53
CCNA2 P20248 3/20 0.53
CCNA1 P78396 3/20 0.53
PLK1 P53350 4/20 0.52
PLK3 Q9H4B4 3/20 0.52
AURKA O14965 1/20 0.50
CDK6 Q00534 1/20 0.50
DCLK1 O15075 1/20 0.47
LRRK2 Q5S007 1/20 0.47
RPS6KA6 Q9UK32 1/20 0.47

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
SCHEMBL4783471 0.89 PLK1 (0.51) CDK4CCND1CCND2CCND3CDK1
SCHEMBL14220956 0.88 PLK1 (0.56) CDK4CCND1CCND3CDK1CCNE1
SCHEMBL4729390 0.87 PLK1 (0.56) PLK1PLK3PLK2
SCHEMBL14221236 0.86 PLK1 (0.55) CDK4CCND1CCND2CCND3CDK1
SCHEMBL4801699 0.86 PLK1 (0.48) CDK4CCND1CCND2CCND3CDK1
SCHEMBL4800962 0.86 PLK1 (0.52) CDK4CCND1CCND2CCND3PLK1
SCHEMBL14221001 0.86 PLK1 (0.54) PLK1PLK3PLK2
SCHEMBL4784197 0.85 PLK1 (0.56) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4782801 0.84 PLK1 (0.53) PLK1PLK3PLK2
SCHEMBL4729386 0.84 PLK1 (0.53) PLK1PLK3DCLK1LRRK2PLK2

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