SCHEMBL4240681

SCHEMBL4240681

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(C1=CCCC1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.56
IGF1R P08069 5/20 0.53
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
PLK1 P53350 2/20 0.51
BRD4 O60885 1/20 0.51
RAD52 P43351 2/20 0.51
LRRK2 Q5S007 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
SCHEMBL4234848 0.93 AURKA (0.56) PTK2IGF1RAURKAAURKBPLK1
SCHEMBL4238376 0.88 IGF1R (0.57) PTK2IGF1RAURKAAURKBBRD4
SCHEMBL4239695 0.88 PTK2 (0.57) PTK2IGF1RAURKAAURKBPLK1
SCHEMBL4234673 0.88 PTK2 (0.56) PTK2IGF1RAURKAAURKBPLK1
SCHEMBL4238729 0.87 PTK2 (0.55) PTK2IGF1RAURKAAURKBPLK1
SCHEMBL4237048 0.87 PTK2 (0.57) PTK2IGF1RAURKAAURKBPLK1
SCHEMBL4242720 0.86 PTK2 (0.55) PTK2IGF1RAURKAAURKBPLK1
SCHEMBL4235459 0.86 IGF1R (0.60) PTK2IGF1RAURKAAURKBPLK1
SCHEMBL4243514 0.86 BRD4 (0.55) PTK2IGF1RAURKAAURKBPLK1
SCHEMBL4240967 0.86 IGF1R (0.58) PTK2IGF1RAURKAAURKBBRD4

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