SCHEMBL2197909

SCHEMBL2197909

CCc1cccn2c(-c3nc(N[C@@H](C)c4ccc(CC5CCN(C(C)C)C(O)C5)cc4)ncc3C#N)cnc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.37
IGF1R P08069 3/20 0.34
CDK2 P24941 1/20 0.34
TYRO3 Q06418 3/20 0.32
MERTK Q12866 2/20 0.32
IDH1 O75874 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2197811 0.85 IGF1R (0.38) PLK1IGF1RCDK2TYRO3IDH1
SCHEMBL2197869 0.83 PLK1 (0.35) PLK1IGF1RCDK2TYRO3MERTK
SCHEMBL2199550 0.83 PLK1 (0.35) PLK1IGF1RCDK2TYRO3MERTK
SCHEMBL2198011 0.83 PLK1 (0.35) PLK1IGF1RCDK2TYRO3MERTK
SCHEMBL2197910 0.82 PLK1 (0.38) PLK1IGF1RCDK2TYRO3MERTK
SCHEMBL2226580 0.80 PLK1 (0.38) PLK1IGF1RCDK2TYRO3MERTK
SCHEMBL2196904 0.80 IGF1R (0.36) PLK1IGF1RCDK2IDH1
SCHEMBL2227194 0.80 TYRO3 (0.39) PLK1IGF1RCDK2TYRO3MERTK
SCHEMBL2196677 0.79 PLK1 (0.39) PLK1IGF1RCDK2TYRO3MERTK
SCHEMBL19951509 0.79 PLK1 (0.39) PLK1IGF1RCDK2TYRO3MERTK

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
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed