SCHEMBL4238722

SCHEMBL4238722

CC=Cc1c(OCC2CC2)c(=O)n(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.47
BRD4 O60885 4/20 0.47
IGF1R P08069 3/20 0.47
ALK Q9UM73 4/20 0.44
PLK1 P53350 3/20 0.44
RAD52 P43351 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL4238715 1.00 PTK2 (0.47) PTK2BRD4IGF1RALKPLK1
SCHEMBL4238618 0.92 PTK2 (0.48) PTK2BRD4IGF1RALKPLK1
SCHEMBL4238616 0.92 PTK2 (0.48) PTK2BRD4IGF1RALKPLK1
SCHEMBL4247616 0.92 PTK2 (0.57) PTK2BRD4IGF1RPLK1RAD52
SCHEMBL4245441 0.92 PTK2 (0.48) PTK2BRD4IGF1RALKPLK1
SCHEMBL4245451 0.92 PTK2 (0.48) PTK2BRD4IGF1RALKPLK1
SCHEMBL4247615 0.92 PTK2 (0.57) PTK2BRD4IGF1RPLK1RAD52
SCHEMBL4240056 0.91 ALK (0.54) PTK2BRD4IGF1RALKPLK1
SCHEMBL4240061 0.91 ALK (0.54) PTK2BRD4IGF1RALKPLK1
SCHEMBL4238559 0.89 PTK2 (0.61) PTK2BRD4ALKPLK1RAD52

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