SCHEMBL4242296

SCHEMBL4242296

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1csc(C)c1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.54
PLK1 P53350 11/20 0.52
BRD4 O60885 10/20 0.52
IGF1R P08069 4/20 0.51
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
LRRK2 Q5S007 1/20 0.49
PLK3 Q9H4B4 2/20 0.49
BRDT Q58F21 2/20 0.49
PIK3CD O00329 1/20 0.49
PDXK O00764 1/20 0.49
CIT O14578 1/20 0.49
RIOK3 O14730 1/20 0.49
GAK O14976 1/20 0.49
DCLK1 O15075 1/20 0.49
DAPK3 O43293 1/20 0.49
RPS6KA5 O75582 1/20 0.49
RPS6KA4 O75676 1/20 0.49
STK16 O75716 1/20 0.49
STK10 O94804 1/20 0.49

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
SCHEMBL4239695 0.92 PTK2 (0.57) PTK2PLK1BRD4IGF1RAURKA
SCHEMBL4235459 0.91 IGF1R (0.60) PTK2PLK1BRD4IGF1RAURKA
SCHEMBL4234673 0.91 PTK2 (0.56) PTK2PLK1BRD4IGF1RAURKA
SCHEMBL4238376 0.90 IGF1R (0.57) PTK2BRD4IGF1RAURKAAURKB
SCHEMBL4236695 0.90 PTK2 (0.54) PTK2PLK1BRD4IGF1RAURKA
SCHEMBL4241310 0.89 PTK2 (0.54) PTK2PLK1BRD4IGF1RAURKA
SCHEMBL4237048 0.89 PTK2 (0.57) PTK2PLK1BRD4IGF1RAURKA
SCHEMBL4242720 0.89 PTK2 (0.55) PTK2PLK1BRD4IGF1RAURKA
SCHEMBL4243514 0.89 BRD4 (0.55) PTK2PLK1BRD4IGF1RAURKA
SCHEMBL4240903 0.88 PTK2 (0.55) PTK2PLK1BRD4IGF1RAURKA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed