SCHEMBL6840385

SCHEMBL6840385

C=C1/C(=C\N=C(/N)Cl)N(C)C(=O)[C@@H](CC)N1C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.34
PLK2 Q9NYY3 14/20 0.34
PLK3 Q9H4B4 12/20 0.34
BRD4 O60885 4/20 0.34
TAF1 P21675 2/20 0.33
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PRKCG P05129 1/20 0.32
CLK2 P49760 1/20 0.32
RPS6KA3 P51812 1/20 0.32
NEK4 P51957 1/20 0.32
PTK2 Q05397 1/20 0.32
CAMK2G Q13555 1/20 0.32
CAMK2D Q13557 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
CSNK1G3 Q9Y6M4 1/20 0.32

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
SCHEMBL18475419 0.69 PLK1 (0.38) PLK1PLK2PLK3BRD4TAF1
SCHEMBL18476409 0.69 PLK1 (0.38) PLK1PLK2PLK3BRD4TAF1
SCHEMBL7750944 0.69 PLK1 (0.37) PLK1PLK2PLK3BRD4TAF1
SCHEMBL14193656 0.67 PLK1 (0.37) PLK1PLK2PLK3BRD4TAF1
SCHEMBL16984420 0.65 PLK1 (0.37) PLK1PLK2PLK3BRD4TAF1
SCHEMBL10144547 0.64 PLK1 (0.39) PLK1PLK2PLK3BRD4
SCHEMBL23428556 0.61 HSD11B1 (0.30)
SCHEMBL16416806 0.60 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL16416798 0.60 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL16984421 0.58 PLK1 (0.54) PLK1PLK2PLK3BRD4TAF1

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-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed