SCHEMBL4241071

SCHEMBL4241071

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(C1=C(C)CCCC1)c(OC)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.58
AURKA O14965 1/20 0.56
AURKB Q96GD4 1/20 0.56
PLK1 P53350 6/20 0.56
BRD4 O60885 6/20 0.56
BRDT Q58F21 5/20 0.56
RAD52 P43351 1/20 0.56
PTK2 Q05397 1/20 0.54
LRRK2 Q5S007 1/20 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
SCHEMBL4238720 0.99 IGF1R (0.60) IGF1RAURKAAURKBPLK1BRD4
SCHEMBL4234848 0.88 AURKA (0.56) IGF1RAURKAAURKBPLK1BRD4
SCHEMBL4236731 0.87 IGF1R (0.61) IGF1RAURKAAURKBBRD4RAD52
SCHEMBL4238681 0.86 AURKA (0.56) IGF1RAURKAAURKBPLK1BRD4
SCHEMBL4226614 0.86 IGF1R (0.60) IGF1RAURKAAURKBPLK1BRD4
SCHEMBL4241002 0.85 BRD4 (0.55) IGF1RAURKAAURKBPLK1BRD4
SCHEMBL4240691 0.85 BRD4 (0.64) IGF1RAURKAAURKBPLK1BRD4
SCHEMBL4235611 0.85 IGF1R (0.64) IGF1RAURKAAURKBPLK1BRD4
SCHEMBL4240316 0.85 BRD4 (0.55) IGF1RAURKAAURKBPLK1BRD4
SCHEMBL4240930 0.85 AURKA (0.61) IGF1RAURKAAURKBPLK1BRD4

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