SCHEMBL4234848

SCHEMBL4234848

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.56
AURKB Q96GD4 1/20 0.56
PTK2 Q05397 7/20 0.55
IGF1R P08069 6/20 0.54
PLK1 P53350 4/20 0.54
RAD52 P43351 1/20 0.54
LRRK2 Q5S007 1/20 0.54
BRD4 O60885 3/20 0.53
BRDT Q58F21 3/20 0.53

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
SCHEMBL4240681 0.93 PTK2 (0.56) AURKAAURKBPTK2IGF1RPLK1
SCHEMBL4238720 0.88 IGF1R (0.60) AURKAAURKBPTK2IGF1RPLK1
SCHEMBL4241071 0.88 IGF1R (0.58) AURKAAURKBPTK2IGF1RPLK1
SCHEMBL4236731 0.87 IGF1R (0.61) AURKAAURKBPTK2IGF1RRAD52
SCHEMBL4238681 0.86 AURKA (0.56) AURKAAURKBPTK2IGF1RPLK1
SCHEMBL4226614 0.86 IGF1R (0.60) AURKAAURKBPTK2IGF1RPLK1
SCHEMBL4240691 0.85 BRD4 (0.64) AURKAAURKBPTK2IGF1RPLK1
SCHEMBL4235611 0.85 IGF1R (0.64) AURKAAURKBPTK2IGF1RPLK1
SCHEMBL4240316 0.85 BRD4 (0.55) AURKAAURKBPTK2IGF1RPLK1
SCHEMBL4240930 0.85 AURKA (0.61) AURKAAURKBPTK2IGF1RPLK1

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