SCHEMBL4231902

SCHEMBL4231902

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(cc(OCC3CCCC3)c(=O)n2C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.67
AURKA O14965 1/20 0.61
AURKB Q96GD4 1/20 0.61
PLK1 P53350 12/20 0.58
BRD4 O60885 12/20 0.58
BRDT Q58F21 7/20 0.58
PLK3 Q9H4B4 3/20 0.57
DAPK3 O43293 2/20 0.57
PRKD3 O94806 2/20 0.57
CHEK2 O96017 2/20 0.57
EGFR P00533 2/20 0.57
FES P07332 2/20 0.57
PHKG2 P15735 2/20 0.57
CSNK1D P48730 2/20 0.57
CLK2 P49760 2/20 0.57
NEK2 P51955 2/20 0.57
CAMK2B Q13554 2/20 0.57
CAMK2G Q13555 2/20 0.57
CAMK2D Q13557 2/20 0.57
PTK2B Q14289 2/20 0.57

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
SCHEMBL4245454 0.99 PTK2 (0.68) PTK2AURKAAURKBPLK1BRD4
SCHEMBL4239425 0.97 PTK2 (0.62) PTK2AURKAAURKBPLK1BRD4
SCHEMBL4241300 0.92 AURKA (0.64) PTK2AURKAAURKBPLK1BRD4
SCHEMBL4228054 0.91 PTK2 (0.57) PTK2AURKAAURKBPLK1BRD4
SCHEMBL4234353 0.89 PTK2 (0.69) PTK2AURKAAURKBPLK1BRD4
SCHEMBL4233250 0.88 RAD52 (0.62) PTK2AURKAAURKBPLK1BRD4
SCHEMBL4238562 0.84 PTK2 (0.61) PTK2AURKAAURKBPLK1BRD4
SCHEMBL4238559 0.84 PTK2 (0.61) PTK2AURKAAURKBPLK1BRD4
SCHEMBL4246060 0.82 PTK2 (0.59) PTK2AURKAAURKBPLK1BRD4
SCHEMBL5921305 0.81 PLK1 (0.64) PTK2AURKAAURKBPLK1BRD4

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