SCHEMBL4780453

SCHEMBL4780453

CCN1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)N[C@@H]4CCN(C)C4)cc3Cl)nc2N1C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.62
PLK3 Q9H4B4 7/20 0.62
PLK2 Q9NYY3 6/20 0.54
BRD4 O60885 3/20 0.49
ALK Q9UM73 1/20 0.46
BRDT Q58F21 2/20 0.46

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
SCHEMBL4780611 0.96 PLK1 (0.68) PLK1PLK3PLK2BRD4ALK
SCHEMBL4783982 0.94 PLK1 (0.65) PLK1PLK3PLK2BRD4ALK
SCHEMBL4784171 0.92 PLK1 (0.61) PLK1PLK3PLK2BRD4ALK
SCHEMBL4793942 0.91 PLK1 (0.71) PLK1PLK3PLK2BRD4ALK
SCHEMBL4732160 0.87 PLK1 (0.78) PLK1PLK3PLK2BRD4ALK
SCHEMBL4794798 0.86 PLK1 (0.64) PLK1PLK3PLK2BRD4ALK
SCHEMBL3544699 0.85 PLK1 (0.61) PLK1PLK3PLK2BRD4ALK
SCHEMBL4782269 0.83 PLK1 (0.58) PLK1PLK3PLK2BRD4
SCHEMBL4731427 0.83 PLK1 (0.68) PLK1PLK3PLK2BRD4ALK
SCHEMBL4730840 0.82 PLK1 (0.83) PLK1PLK3PLK2BRD4ALK

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