SCHEMBL6844454

SCHEMBL6844454

CC(C)N1CC(=O)N(C)c2cnc(-c3c[nH]nc3-c3nccs3)nc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.44
PLK2 Q9NYY3 5/20 0.44
PLK3 Q9H4B4 1/20 0.44

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
SCHEMBL6844528 0.80 PLK1 (0.43) PLK1PLK2PLK3
SCHEMBL2345380 0.79 PLK1 (0.72) PLK1PLK2PLK3
SCHEMBL2341982 0.79 PLK1 (0.72) PLK1PLK2PLK3
SCHEMBL2341976 0.79 PLK1 (0.72) PLK1PLK2PLK3
SCHEMBL16405244 0.73 PLK1 (0.60) PLK1PLK2PLK3
SCHEMBL6840481 0.72 PLK2 (0.45) PLK1PLK2PLK3
SCHEMBL6840403 0.70 STK4 (0.38) PLK1PLK2PLK3
SCHEMBL2874984 0.69 RPS6KA3 (0.36)
SCHEMBL6844422 0.68 STK4 (0.36) PLK1PLK2PLK3
SCHEMBL2689588 0.68 PLK1 (0.49) 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