SCHEMBL4849016

SCHEMBL4849016

CCN1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NCC4(CN5CCCC5)CC4)cc3F)nc2N1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.53
PLK3 Q9H4B4 12/20 0.53
PLK2 Q9NYY3 11/20 0.47
BRD4 O60885 3/20 0.43
ALK Q9UM73 1/20 0.39

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
SCHEMBL4783698 0.89 PLK1 (0.56) PLK1PLK3PLK2BRD4ALK
SCHEMBL3547205 0.86 RAD52 (0.51) PLK1PLK3PLK2BRD4ALK
SCHEMBL4794798 0.83 PLK1 (0.64) PLK1PLK3PLK2BRD4ALK
SCHEMBL4783441 0.82 PLK1 (0.62) PLK1PLK3PLK2BRD4
SCHEMBL4783982 0.81 PLK1 (0.65) PLK1PLK3PLK2BRD4ALK
SCHEMBL4782269 0.81 PLK1 (0.58) PLK1PLK3PLK2BRD4
SCHEMBL3546254 0.80 RAD52 (0.57) PLK1PLK3PLK2BRD4
SCHEMBL3543550 0.79 PLK1 (0.62) PLK1PLK3PLK2BRD4
SCHEMBL3542917 0.79 PLK1 (0.62) PLK1PLK3PLK2BRD4
SCHEMBL4784171 0.78 PLK1 (0.61) 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