SCHEMBL5769764

SCHEMBL5769764

COc1cc2ncnc(Nc3nc4ccc(-c5ccc(OC)c(C(N)=O)c5)cc4s3)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.51
EGFR P00533 9/20 0.49
KDR P35968 9/20 0.49
AURKB Q96GD4 5/20 0.49
AURKA O14965 3/20 0.49
CLK1 P49759 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
EPHA2 P29317 1/20 0.48
EPHB4 P54760 1/20 0.48
LCK P06239 1/20 0.47
TEK Q02763 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CG P48736 2/20 0.46
PIK3CA P42336 1/20 0.46
RET P07949 2/20 0.45
KIF5B P33176 1/20 0.45
RAF1 P04049 1/20 0.45
DYRK1A Q13627 1/20 0.44
GAK O14976 1/20 0.44
RIPK2 O43353 1/20 0.44

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
SCHEMBL5765096 0.89 KDR (0.48) BRAFEGFRKDRAURKBAURKA
SCHEMBL5767284 0.87 KDR (0.47) BRAFEGFRKDRAURKBAURKA
SCHEMBL5768564 0.85 EGFR (0.48) BRAFEGFRKDRAURKBAURKA
SCHEMBL4590506 0.80 KDR (0.60) EGFRKDRAURKBAURKACLK1
SCHEMBL3954129 0.79 KDR (0.72) EGFRKDRAURKBAURKA
SCHEMBL3949732 0.77 KDR (0.72) EGFRKDRAURKBAURKA
SCHEMBL3945407 0.77 KDR (0.54) EGFRKDR
SCHEMBL3947263 0.76 KDR (0.72) EGFRKDRAURKBAURKALCK
SCHEMBL3948600 0.76 ABCG2 (0.66) BRAFEGFRKDRAURKBAURKA
SCHEMBL3947988 0.76 AURKB (0.71) EGFRKDRAURKBAURKAIRAK4

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-1674467-A1 2,5- and 2,6-disubstituted benzazole derivatives useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed