SCHEMBL4242629

SCHEMBL4242629

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1ccc[nH]1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.54
BRD4 O60885 5/20 0.52
LRRK2 Q5S007 3/20 0.52
DCLK1 O15075 2/20 0.52
MAPK7 Q13164 2/20 0.52
IGF1R P08069 1/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
PLK1 P53350 3/20 0.50
RAD52 P43351 1/20 0.50

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
SCHEMBL4238376 0.90 IGF1R (0.57) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4242720 0.89 PTK2 (0.55) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4238729 0.88 PTK2 (0.55) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4239695 0.88 PTK2 (0.57) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4240967 0.88 IGF1R (0.58) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4234673 0.88 PTK2 (0.56) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4240903 0.87 PTK2 (0.55) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4241310 0.87 PTK2 (0.54) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4237026 0.87 AURKA (0.57) PTK2BRD4LRRK2DCLK1MAPK7
SCHEMBL4234101 0.87 BRD4 (0.54) PTK2BRD4LRRK2DCLK1MAPK7

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