SCHEMBL4243514

SCHEMBL4243514

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1ccoc1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.55
PLK1 P53350 6/20 0.55
PTK2 Q05397 5/20 0.55
IGF1R P08069 2/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
LRRK2 Q5S007 3/20 0.51
DCLK1 O15075 2/20 0.50
MAPK7 Q13164 2/20 0.50
RAD52 P43351 1/20 0.49
TAF1 P21675 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
SCHEMBL4240316 0.93 BRD4 (0.55) BRD4PLK1PTK2IGF1RAURKA
SCHEMBL4239695 0.91 PTK2 (0.57) BRD4PLK1PTK2IGF1RAURKA
SCHEMBL4238376 0.91 IGF1R (0.57) BRD4PTK2IGF1RAURKAAURKB
SCHEMBL4234673 0.91 PTK2 (0.56) BRD4PLK1PTK2IGF1RAURKA
SCHEMBL4237048 0.90 PTK2 (0.57) BRD4PLK1PTK2IGF1RAURKA
SCHEMBL4235459 0.90 IGF1R (0.60) BRD4PLK1PTK2IGF1RAURKA
SCHEMBL4242720 0.90 PTK2 (0.55) BRD4PLK1PTK2IGF1RAURKA
SCHEMBL4240903 0.89 PTK2 (0.55) BRD4PLK1PTK2IGF1RAURKA
SCHEMBL4241310 0.89 PTK2 (0.54) BRD4PLK1PTK2IGF1RAURKA
SCHEMBL4234288 0.89 PTK2 (0.55) BRD4PLK1PTK2IGF1RAURKA

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