SCHEMBL4241300

SCHEMBL4241300

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.64
AURKB Q96GD4 1/20 0.64
LRRK2 Q5S007 2/20 0.63
BRD4 O60885 9/20 0.61
DCLK1 O15075 1/20 0.61
MAPK7 Q13164 1/20 0.61
PLK1 P53350 9/20 0.60
BRDT Q58F21 5/20 0.60
PTK2 Q05397 5/20 0.60
IGF1R P08069 1/20 0.59
RAD52 P43351 1/20 0.59

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
SCHEMBL4239425 0.93 PTK2 (0.62) AURKAAURKBLRRK2BRD4DCLK1
SCHEMBL4231902 0.92 PTK2 (0.67) AURKAAURKBBRD4DCLK1MAPK7
SCHEMBL4233250 0.91 RAD52 (0.62) AURKAAURKBLRRK2BRD4DCLK1
SCHEMBL4245454 0.91 PTK2 (0.68) AURKAAURKBBRD4DCLK1MAPK7
SCHEMBL4234353 0.88 PTK2 (0.69) AURKAAURKBLRRK2BRD4DCLK1
SCHEMBL4228054 0.88 PTK2 (0.57) AURKAAURKBLRRK2BRD4DCLK1
SCHEMBL4240691 0.85 BRD4 (0.64) AURKAAURKBLRRK2BRD4DCLK1
SCHEMBL4242620 0.84 AURKA (0.59) AURKAAURKBLRRK2BRD4DCLK1
SCHEMBL5921305 0.84 PLK1 (0.64) AURKAAURKBBRD4DCLK1MAPK7
SCHEMBL4234396 0.83 BRD4 (0.59) AURKAAURKBLRRK2BRD4DCLK1

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