SCHEMBL4240068

SCHEMBL4240068

C/C=C/c1c(OCC)c(=O)n(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.55
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
LRRK2 Q5S007 3/20 0.54
BRD4 O60885 7/20 0.54
PLK1 P53350 5/20 0.54
ALK Q9UM73 4/20 0.54
RAD52 P43351 1/20 0.54
PLK3 Q9H4B4 3/20 0.53
DCLK1 O15075 3/20 0.53
MAPK7 Q13164 3/20 0.53
IGF1R P08069 3/20 0.53
BRDT Q58F21 2/20 0.53
DAPK3 O43293 2/20 0.53
PRKD3 O94806 2/20 0.53
CHEK2 O96017 2/20 0.53
EGFR P00533 2/20 0.53
FES P07332 2/20 0.53
PHKG2 P15735 2/20 0.53
CSNK1D P48730 2/20 0.53

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
SCHEMBL4240072 1.00 PTK2 (0.55) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4238706 0.94 AURKA (0.57) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4238700 0.94 AURKA (0.57) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4247615 0.93 PTK2 (0.57) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4247616 0.93 PTK2 (0.57) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4237095 0.93 AURKA (0.55) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4237100 0.93 AURKA (0.55) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4240056 0.92 ALK (0.54) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4234729 0.92 BRD4 (0.55) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4240061 0.92 ALK (0.54) PTK2AURKAAURKBLRRK2BRD4

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