SCHEMBL6844591

SCHEMBL6844591

CC[C@@]12CCCN1c1nc(-n3ccnc3-c3cccc(Br)c3)ncc1NC2=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 18/20 0.38
PLK1 P53350 15/20 0.38
PLK3 Q9H4B4 1/20 0.38
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 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
SCHEMBL6844378 0.86 PLK2 (0.40) PLK2PLK1PLK3
SCHEMBL2050617 0.85 PLK2 (0.46) PLK2PLK1PLK3
SCHEMBL2050615 0.85 PLK2 (0.46) PLK2PLK1PLK3
SCHEMBL6844619 0.85 PLK2 (0.41) PLK2PLK1PLK3
SCHEMBL6844455 0.83 PLK2 (0.36) PLK2PLK1PLK3
SCHEMBL2688167 0.80 PLK2 (0.36) PLK2PLK1PLK3ALDH1A1HSD17B10
SCHEMBL1688498 0.80 PLK2 (0.38) PLK2PLK1PLK3ALDH1A1HSD17B10
SCHEMBL6844673 0.80 PLK2 (0.44) PLK2PLK1PLK3
SCHEMBL6844588 0.79 PLK1 (0.33) PLK2PLK1PLK3
SCHEMBL6844581 0.78 PLK2 (0.38) PLK2PLK1PLK3

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