SCHEMBL4242806

SCHEMBL4242806

C/C=C/c1c(OC(C)C2CC2)c(=O)n(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.54
PLK1 P53350 7/20 0.54
BRDT Q58F21 3/20 0.54
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
LRRK2 Q5S007 3/20 0.52
IGF1R P08069 3/20 0.52
DCLK1 O15075 2/20 0.52
PTK2 Q05397 2/20 0.52
TAF1 P21675 2/20 0.52
MAPK7 Q13164 1/20 0.51
RAD52 P43351 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
SCHEMBL4242812 1.00 BRD4 (0.54) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4238706 0.92 AURKA (0.57) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4238700 0.92 AURKA (0.57) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4239088 0.92 BRD4 (0.54) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4053040 0.92 BRD4 (0.54) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4234729 0.91 BRD4 (0.55) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4234733 0.91 BRD4 (0.55) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4237095 0.90 AURKA (0.55) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4240068 0.90 PTK2 (0.55) BRD4PLK1BRDTAURKAAURKB
SCHEMBL4237100 0.90 AURKA (0.55) BRD4PLK1BRDTAURKAAURKB

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