SCHEMBL4240903

SCHEMBL4240903

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1cccnc1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 10/20 0.55
IGF1R P08069 2/20 0.52
BRD4 O60885 4/20 0.51
LRRK2 Q5S007 3/20 0.51
DCLK1 O15075 2/20 0.51
MAPK7 Q13164 2/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
RAD52 P43351 1/20 0.50
PLK1 P53350 2/20 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
SCHEMBL4238376 0.94 IGF1R (0.57) PTK2IGF1RBRD4LRRK2DCLK1
SCHEMBL4234673 0.93 PTK2 (0.56) PTK2IGF1RBRD4LRRK2DCLK1
SCHEMBL4241310 0.91 PTK2 (0.54) PTK2IGF1RBRD4LRRK2DCLK1
SCHEMBL4239695 0.91 PTK2 (0.57) PTK2IGF1RBRD4LRRK2DCLK1
SCHEMBL4234288 0.90 PTK2 (0.55) PTK2IGF1RBRD4LRRK2DCLK1
SCHEMBL4238729 0.90 PTK2 (0.55) PTK2IGF1RBRD4LRRK2DCLK1
SCHEMBL4237048 0.90 PTK2 (0.57) PTK2IGF1RBRD4LRRK2AURKA
SCHEMBL4235459 0.89 IGF1R (0.60) PTK2IGF1RBRD4LRRK2DCLK1
SCHEMBL4242720 0.89 PTK2 (0.55) PTK2IGF1RBRD4LRRK2DCLK1
SCHEMBL4243514 0.89 BRD4 (0.55) PTK2IGF1RBRD4LRRK2DCLK1

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