SCHEMBL4245441

SCHEMBL4245441

C/C=C/c1c(OCC2CC2)c(=O)n(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3CC)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.48
ALK Q9UM73 5/20 0.45
PLK1 P53350 9/20 0.44
BRD4 O60885 8/20 0.44
RAD52 P43351 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
IGF1R P08069 1/20 0.43
TAF1 P21675 2/20 0.43
PLK3 Q9H4B4 2/20 0.43
BRDT Q58F21 2/20 0.43
LRRK2 Q5S007 1/20 0.43
PIK3CD O00329 1/20 0.43
PDXK O00764 1/20 0.43
CIT O14578 1/20 0.43
RIOK3 O14730 1/20 0.43
GAK O14976 1/20 0.43
DCLK1 O15075 1/20 0.43
DAPK3 O43293 1/20 0.43
RPS6KA5 O75582 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
SCHEMBL4245451 1.00 PTK2 (0.48) PTK2ALKPLK1BRD4RAD52
SCHEMBL4240056 0.93 ALK (0.54) PTK2ALKPLK1BRD4RAD52
SCHEMBL4240061 0.93 ALK (0.54) PTK2ALKPLK1BRD4RAD52
SCHEMBL4238616 0.92 PTK2 (0.48) PTK2ALKPLK1BRD4RAD52
SCHEMBL4238618 0.92 PTK2 (0.48) PTK2ALKPLK1BRD4RAD52
SCHEMBL4238722 0.92 PTK2 (0.47) PTK2ALKPLK1BRD4RAD52
SCHEMBL4238715 0.92 PTK2 (0.47) PTK2ALKPLK1BRD4RAD52
SCHEMBL4247616 0.92 PTK2 (0.57) PTK2PLK1BRD4RAD52AURKA
SCHEMBL4247615 0.92 PTK2 (0.57) PTK2PLK1BRD4RAD52AURKA
SCHEMBL4238559 0.89 PTK2 (0.61) PTK2ALKPLK1BRD4RAD52

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009112524-A1 PYRIDOPYRIMIDINES AS PLK1 ( POLO-LIKE KINASE) INHIBITORS 4SC AG (DE) 2009-09-17 WO disclosed
EP-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed