SCHEMBL4235459

SCHEMBL4235459

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1ccsc1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.60
PLK1 P53350 13/20 0.55
BRD4 O60885 12/20 0.55
PTK2 Q05397 2/20 0.55
LRRK2 Q5S007 2/20 0.51
DCLK1 O15075 2/20 0.51
MAPK7 Q13164 2/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
BRDT Q58F21 5/20 0.51
RAD52 P43351 1/20 0.51
PLK3 Q9H4B4 2/20 0.50
PIK3CD O00329 1/20 0.50
PDXK O00764 1/20 0.50
CIT O14578 1/20 0.50
RIOK3 O14730 1/20 0.50
GAK O14976 1/20 0.50
DAPK3 O43293 1/20 0.50
RPS6KA5 O75582 1/20 0.50
RPS6KA4 O75676 1/20 0.50

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
SCHEMBL4234109 0.95 IGF1R (0.54) IGF1RPLK1BRD4PTK2PLK3
SCHEMBL4241330 0.94 IGF1R (0.53) IGF1RPLK1BRD4PTK2LRRK2
SCHEMBL4380887 0.93 IGF1R (0.63) IGF1RPLK1BRD4PTK2LRRK2
SCHEMBL4235611 0.93 IGF1R (0.64) IGF1RPLK1BRD4PTK2LRRK2
SCHEMBL4238736 0.93 IGF1R (0.51) IGF1RPLK1BRD4PTK2LRRK2
SCHEMBL4223710 0.92 IGF1R (0.50) IGF1RPLK1BRD4PTK2LRRK2
SCHEMBL4238679 0.92 IGF1R (0.50) IGF1RPLK1BRD4PTK2DCLK1
SCHEMBL4234673 0.92 PTK2 (0.56) IGF1RPLK1BRD4PTK2LRRK2
SCHEMBL4246138 0.92 IGF1R (0.49) IGF1RPLK1BRD4PTK2LRRK2
SCHEMBL4238376 0.91 IGF1R (0.57) IGF1RBRD4PTK2LRRK2DCLK1

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