SCHEMBL4866097

SCHEMBL4866097

O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2csc3ncnc([AsH2])c23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 8/20 0.77
MAP4K4 O95819 8/20 0.77
MARK3 P27448 8/20 0.77
AXL P30530 8/20 0.77
MAP4K2 Q12851 8/20 0.77
STK3 Q13188 8/20 0.77
SLK Q9H2G2 8/20 0.77
MKNK2 Q9HBH9 8/20 0.77
MINK1 Q8N4C8 7/20 0.77
LIMK1 P53667 7/20 0.77
MARK2 Q7KZI7 7/20 0.77
CLK4 Q9HAZ1 7/20 0.77
LCK P06239 7/20 0.77
BLK P51451 7/20 0.77
BRSK1 Q8TDC3 6/20 0.77
CDK1 P06493 6/20 0.77
MET P08581 6/20 0.77
MAP4K5 Q9Y4K4 6/20 0.77
SRPK1 Q96SB4 6/20 0.77
CSNK1G2 P78368 6/20 0.77

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
SCHEMBL4760435 0.88 PLK4 (0.62) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL5478260 0.87 PLK4 (1.00) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL4721372 0.81 PLK4 (0.89) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL5474622 0.77 PLK4 (0.80) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL4761640 0.76 PLK4 (0.81) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL5472353 0.76 KDR (1.00) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL5474949 0.76 MAP4K4 (0.78) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL4722423 0.76 PLK4 (1.00) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL4719761 0.76 PLK4 (1.00) PLK4MAP4K4MARK3AXLMAP4K2
SCHEMBL4721626 0.76 STK3 (0.78) PLK4MAP4K4MARK3AXLMAP4K2

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
EP-1968979-A2 9-MEMBERED HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-09-17 EP disclosed
WO-2007067781-A2 9-MEMBERED HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2007-06-14 WO disclosed