SCHEMBL4240930

SCHEMBL4240930

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(C1CCCC1)c(OC)c(=O)n2C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.61
AURKB Q96GD4 1/20 0.61
BRD4 O60885 10/20 0.58
PLK1 P53350 9/20 0.58
BRDT Q58F21 6/20 0.58
IGF1R P08069 3/20 0.58
RAD52 P43351 1/20 0.57
LRRK2 Q5S007 2/20 0.57
PTK2 Q05397 3/20 0.56
PLK3 Q9H4B4 3/20 0.56
DAPK3 O43293 2/20 0.56
PRKD3 O94806 2/20 0.56
CHEK2 O96017 2/20 0.56
EGFR P00533 2/20 0.56
FES P07332 2/20 0.56
PHKG2 P15735 2/20 0.56
CSNK1D P48730 2/20 0.56
CLK2 P49760 2/20 0.56
NEK2 P51955 2/20 0.56
CAMK2B Q13554 2/20 0.56

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 0.97 AURKA (0.59) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4238685 0.91 IGF1R (0.57) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4246060 0.90 PTK2 (0.59) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4240691 0.89 BRD4 (0.64) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4234396 0.87 BRD4 (0.59) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4234754 0.87 LRRK2 (0.59) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4238706 0.87 AURKA (0.57) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4234274 0.87 AURKA (0.59) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4238700 0.87 AURKA (0.57) AURKAAURKBBRD4PLK1BRDT
SCHEMBL4236731 0.86 IGF1R (0.61) AURKAAURKBBRD4IGF1RRAD52

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009112524-A1 PYRIDOPYRIMIDINES AS PLK1 ( POLO-LIKE KINASE) INHIBITORS 4SC AG (DE) 2009-09-17 WO disclosed
EP-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed