SCHEMBL4238685

SCHEMBL4238685

CCOc1c(C2CC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.57
PTK2 Q05397 4/20 0.56
AURKA O14965 1/20 0.56
AURKB Q96GD4 1/20 0.56
LRRK2 Q5S007 3/20 0.55
BRD4 O60885 9/20 0.55
PLK1 P53350 6/20 0.55
PLK3 Q9H4B4 3/20 0.54
DCLK1 O15075 3/20 0.54
MAPK7 Q13164 3/20 0.54
BRDT Q58F21 2/20 0.54
DAPK3 O43293 2/20 0.54
PRKD3 O94806 2/20 0.54
CHEK2 O96017 2/20 0.54
EGFR P00533 2/20 0.54
FES P07332 2/20 0.54
PHKG2 P15735 2/20 0.54
CSNK1D P48730 2/20 0.54
CLK2 P49760 2/20 0.54
NEK2 P51955 2/20 0.54

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
SCHEMBL4242620 0.94 AURKA (0.59) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4246060 0.93 PTK2 (0.59) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4240930 0.91 AURKA (0.61) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4240068 0.89 PTK2 (0.55) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4240072 0.89 PTK2 (0.55) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4380887 0.86 IGF1R (0.63) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4240691 0.86 BRD4 (0.64) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4242288 0.86 IGF1R (0.54) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4234657 0.86 PTK2 (0.54) IGF1RPTK2AURKAAURKBLRRK2
SCHEMBL4234396 0.84 BRD4 (0.59) IGF1RPTK2AURKAAURKBLRRK2

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
EP-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed