SCHEMBL4240316

SCHEMBL4240316

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.55
PLK1 P53350 7/20 0.55
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
LRRK2 Q5S007 2/20 0.54
IGF1R P08069 4/20 0.53
DCLK1 O15075 1/20 0.53
MAPK7 Q13164 1/20 0.53
PTK2 Q05397 5/20 0.52
BRDT Q58F21 4/20 0.52

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
SCHEMBL4243514 0.93 BRD4 (0.55) BRD4PLK1AURKAAURKBLRRK2
SCHEMBL4236731 0.91 IGF1R (0.61) BRD4AURKAAURKBLRRK2IGF1R
SCHEMBL4238681 0.90 AURKA (0.56) BRD4PLK1AURKAAURKBLRRK2
SCHEMBL4226614 0.89 IGF1R (0.60) BRD4PLK1AURKAAURKBLRRK2
SCHEMBL4235611 0.89 IGF1R (0.64) BRD4PLK1AURKAAURKBLRRK2
SCHEMBL4238619 0.88 BRD4 (0.55) BRD4PLK1AURKAAURKBLRRK2
SCHEMBL4240691 0.86 BRD4 (0.64) BRD4PLK1AURKAAURKBLRRK2
SCHEMBL4242620 0.85 AURKA (0.59) BRD4PLK1AURKAAURKBLRRK2
SCHEMBL4238720 0.85 IGF1R (0.60) BRD4PLK1AURKAAURKBLRRK2
SCHEMBL4241071 0.85 IGF1R (0.58) BRD4PLK1AURKAAURKBLRRK2

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