SCHEMBL4234768

SCHEMBL4234768

COc1cc(C(=O)NCCC2CCCN2C)ccc1Nc1ncc2c(n1)c(-c1ccsc1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.45
BRAF P15056 1/20 0.43
PTK2 Q05397 2/20 0.42
PLK1 P53350 9/20 0.42
BRD4 O60885 7/20 0.42
BRDT Q58F21 3/20 0.41
EGLN1 Q9GZT9 1/20 0.41
LRRK2 Q5S007 1/20 0.40
RAD52 P43351 2/20 0.39
PLK3 Q9H4B4 1/20 0.39
PLK2 Q9NYY3 1/20 0.39
MAPK7 Q13164 1/20 0.39

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
SCHEMBL4246138 0.88 IGF1R (0.49) IGF1RPTK2PLK1BRD4BRDT
SCHEMBL4235459 0.87 IGF1R (0.60) IGF1RPTK2PLK1BRD4BRDT
SCHEMBL4241330 0.85 IGF1R (0.53) IGF1RPTK2PLK1BRD4BRDT
SCHEMBL4234109 0.82 IGF1R (0.54) IGF1RPTK2PLK1BRD4PLK3
SCHEMBL4380887 0.80 IGF1R (0.63) IGF1RPTK2PLK1BRD4BRDT
SCHEMBL4235611 0.80 IGF1R (0.64) IGF1RPTK2PLK1BRD4BRDT
SCHEMBL4238736 0.80 IGF1R (0.51) IGF1RPTK2PLK1BRD4LRRK2
SCHEMBL4223710 0.79 IGF1R (0.50) IGF1RPTK2PLK1BRD4LRRK2
SCHEMBL4238679 0.79 IGF1R (0.50) IGF1RPTK2PLK1BRD4BRDT
SCHEMBL4234673 0.79 PTK2 (0.56) IGF1RPTK2PLK1BRD4BRDT

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