SCHEMBL4240691

SCHEMBL4240691

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.64
AURKA O14965 1/20 0.60
AURKB Q96GD4 1/20 0.60
LRRK2 Q5S007 3/20 0.59
PTK2 Q05397 7/20 0.58
DCLK1 O15075 1/20 0.57
MAPK7 Q13164 1/20 0.57
PLK1 P53350 6/20 0.57
BRDT Q58F21 5/20 0.57
IGF1R P08069 1/20 0.55
RAD52 P43351 1/20 0.55

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
SCHEMBL4242620 0.90 AURKA (0.59) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4234396 0.89 BRD4 (0.59) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4234754 0.89 LRRK2 (0.59) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4234274 0.89 AURKA (0.59) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4238706 0.89 AURKA (0.57) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4240930 0.89 AURKA (0.61) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4238700 0.89 AURKA (0.57) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4236731 0.88 IGF1R (0.61) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4238681 0.87 AURKA (0.56) BRD4AURKAAURKBLRRK2PTK2
SCHEMBL4226614 0.87 IGF1R (0.60) BRD4AURKAAURKBLRRK2PTK2

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