SCHEMBL6844660

SCHEMBL6844660

CCC1C(=O)Nc2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1cccc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.52
PLK2 Q9NYY3 7/20 0.52
PLK3 Q9H4B4 1/20 0.49
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
PIK3CD O00329 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL2052780 0.86 PLK2 (0.72) PLK1PLK2PLK3PIK3CD
SCHEMBL6844641 0.84 PLK1 (0.73) PLK1PLK2PLK3
SCHEMBL2688044 0.81 PLK1 (0.52) PLK1PLK2PLK3ADORA2AADORA1
SCHEMBL2689987 0.81 PLK1 (0.52) PLK1PLK2PLK3
SCHEMBL2049848 0.77 PLK2 (0.75) PLK1PLK2PLK3
SCHEMBL1288492 0.73 PLK1 (0.54) PLK1PLK2PLK3
SCHEMBL2689343 0.73 PLK1 (0.54) PLK1PLK2PLK3
SCHEMBL2047202 0.71 PLK2 (0.75) PLK1PLK2PLK3
SCHEMBL2047203 0.71 PLK2 (0.75) PLK1PLK2PLK3
SCHEMBL2048799 0.71 PLK2 (0.75) PLK1PLK2PLK3

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