SCHEMBL4223710

SCHEMBL4223710

CN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)c(-c3ccsc3)c(OCC3CC3)c(=O)n4C)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.50
BRD4 O60885 8/20 0.46
PLK1 P53350 7/20 0.46
PTK2 Q05397 3/20 0.46
ALK Q9UM73 1/20 0.42
DCLK1 O15075 1/20 0.42
MAPK7 Q13164 1/20 0.42
LRRK2 Q5S007 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL4238736 0.93 IGF1R (0.51) IGF1RBRD4PLK1PTK2DCLK1
SCHEMBL4238679 0.92 IGF1R (0.50) IGF1RBRD4PLK1PTK2ALK
SCHEMBL4235459 0.92 IGF1R (0.60) IGF1RBRD4PLK1PTK2ALK
SCHEMBL4234109 0.91 IGF1R (0.54) IGF1RBRD4PLK1PTK2ALK
SCHEMBL4238715 0.87 PTK2 (0.47) IGF1RBRD4PLK1PTK2ALK
SCHEMBL4238722 0.87 PTK2 (0.47) IGF1RBRD4PLK1PTK2ALK
SCHEMBL4241330 0.86 IGF1R (0.53) IGF1RBRD4PLK1PTK2DCLK1
SCHEMBL4380887 0.85 IGF1R (0.63) IGF1RBRD4PLK1PTK2ALK
SCHEMBL4235611 0.85 IGF1R (0.64) IGF1RBRD4PLK1PTK2DCLK1
SCHEMBL4234673 0.84 PTK2 (0.56) IGF1RBRD4PLK1PTK2DCLK1

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