SCHEMBL2199550

SCHEMBL2199550

CC(Nc1ncc(C#N)c(-c2cnc3c(C4CC4)cccn23)n1)c1ccc(CC2CCN(C)[C@@H](O)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.35
TYRO3 Q06418 4/20 0.34
MERTK Q12866 3/20 0.34
IGF1R P08069 2/20 0.33
CDK2 P24941 1/20 0.33
CDK1 P06493 2/20 0.31
KDR P35968 2/20 0.31
IDH1 O75874 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
SCHEMBL2197869 1.00 PLK1 (0.35) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2197909 0.83 PLK1 (0.37) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2197872 0.81 PLK1 (0.38) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL5065506 0.81 PLK1 (0.38) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2196904 0.81 IGF1R (0.36) PLK1IGF1RCDK2CDK1IDH1
SCHEMBL3558549 0.81 PLK1 (0.41) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2200780 0.79 PLK1 (0.36) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2202182 0.78 PLK1 (0.36) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2197365 0.78 PLK1 (0.36) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2198778 0.78 PLK1 (0.36) PLK1TYRO3MERTKIGF1RCDK2

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