SCHEMBL1552685

SCHEMBL1552685

COc1ccc(CN2CCCC(COc3ccc(-c4nc5cc(OC(N)=O)ccc5[nH]4)cc3)C2)cc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 20/20 0.75

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
SCHEMBL1552667 0.95 CHEK2 (0.76) CHEK2
SCHEMBL1552404 0.94 CHEK2 (0.75) CHEK2
SCHEMBL1552711 0.93 CHEK2 (0.75) CHEK2
SCHEMBL1553000 0.92 CHEK2 (0.76) CHEK2
SCHEMBL1552324 0.91 CHEK2 (0.74) CHEK2
SCHEMBL1552705 0.91 CHEK2 (0.88) CHEK2
SCHEMBL5641695 0.88 CHEK2 (0.76) CHEK2
SCHEMBL1552238 0.85 CHEK2 (0.88) CHEK2
SCHEMBL1552745 0.85 CHEK2 (0.75) CHEK2
SCHEMBL1552714 0.85 CHEK2 (0.74) CHEK2

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-1824832-B1 ARYL-SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE ETHERS AS ANTI-CANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2011-04-27 EP claimed