SCHEMBL4240967

SCHEMBL4240967

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1C)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.58
BRD4 O60885 5/20 0.56
DCLK1 O15075 4/20 0.56
LRRK2 Q5S007 4/20 0.56
MAPK7 Q13164 2/20 0.56
PTK2 Q05397 2/20 0.55
RAD52 P43351 1/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51

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
SCHEMBL4237026 0.93 AURKA (0.57) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4238376 0.91 IGF1R (0.57) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4238729 0.90 PTK2 (0.55) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4239695 0.90 PTK2 (0.57) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4241310 0.89 PTK2 (0.54) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4234673 0.88 PTK2 (0.56) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4242629 0.88 PTK2 (0.54) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4240903 0.88 PTK2 (0.55) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4234101 0.88 BRD4 (0.54) IGF1RBRD4DCLK1LRRK2MAPK7
SCHEMBL4237048 0.88 PTK2 (0.57) IGF1RBRD4LRRK2PTK2AURKA

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