SCHEMBL1688607

SCHEMBL1688607

Cc1nnc2n1-c1cnc(-n3ccnc3-c3cc(Cl)cc(Cl)c3)nc1N1CCCC21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 16/20 0.37
PLK1 P53350 13/20 0.37
PLK3 Q9H4B4 1/20 0.37
ALDH1A1 P00352 4/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 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
SCHEMBL1688486 0.88 PLK2 (0.42) PLK2PLK1PLK3
SCHEMBL1688600 0.85 PLK2 (0.50) PLK2PLK1PLK3
SCHEMBL1688574 0.83 PLK1 (0.34) PLK2PLK1PLK3
SCHEMBL1688619 0.82 PLK2 (0.41) PLK2PLK1PLK3
SCHEMBL2687968 0.80 PLK1 (0.53) PLK2PLK1PLK3
SCHEMBL2687966 0.80 PLK1 (0.53) PLK2PLK1PLK3
SCHEMBL10286980 0.79 PLK2 (0.35) PLK2PLK1PLK3ALDH1A1KMT2A
SCHEMBL1688434 0.78 OGG1 (0.35) MAPTTSHR
SCHEMBL1288576 0.78 OGG1 (0.35) MAPTTSHR
SCHEMBL2689464 0.77 PDE2A (0.37) ALDH1A1KMT2AKDM4EALOX15HSD17B10

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-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO disclosed