SCHEMBL4782053

SCHEMBL4782053

CCN1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCN4CCCC4)cc3Cl)nc2N1C1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.65
PLK3 Q9H4B4 13/20 0.65
PLK2 Q9NYY3 10/20 0.53
BRD4 O60885 7/20 0.48
BRDT Q58F21 5/20 0.48
ALK Q9UM73 3/20 0.48
LRRK2 Q5S007 1/20 0.47
PRKD3 O94806 3/20 0.46
CLK2 P49760 3/20 0.46
PTK2 Q05397 3/20 0.46
CAMK2G Q13555 3/20 0.46
CAMK2D Q13557 3/20 0.46
PRKD2 Q9BZL6 3/20 0.46
CSNK1G1 Q9HCP0 3/20 0.46
CSNK1G3 Q9Y6M4 3/20 0.46
MAP4K4 O95819 2/20 0.46
PRKCG P05129 2/20 0.46
RPS6KA3 P51812 2/20 0.46
NEK4 P51957 2/20 0.46
SRPK1 Q96SB4 1/20 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
SCHEMBL4784347 0.91 PLK1 (0.79) PLK1PLK3PLK2BRD4BRDT
SCHEMBL4781147 0.89 PLK1 (0.75) PLK1PLK3PLK2BRD4BRDT
SCHEMBL3543707 0.85 PLK1 (0.63) PLK1PLK3PLK2BRD4BRDT
SCHEMBL4783698 0.83 PLK1 (0.56) PLK1PLK3PLK2BRD4ALK
SCHEMBL3545374 0.83 PLK1 (0.54) PLK1PLK3PLK2BRD4BRDT
SCHEMBL4784278 0.82 PLK1 (0.58) PLK1PLK3PLK2BRD4ALK
SCHEMBL4783441 0.81 PLK1 (0.62) PLK1PLK3PLK2BRD4
SCHEMBL4781482 0.81 PLK1 (0.76) PLK1PLK3PLK2BRD4BRDT
SCHEMBL4734567 0.80 PLK1 (0.74) PLK1PLK3PLK2BRD4BRDT
SCHEMBL4843631 0.80 PLK1 (0.77) PLK1PLK3PLK2BRD4BRDT

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