SCHEMBL1551663

SCHEMBL1551663

CC(C)(C)OC(=O)ON1CCC(CCOc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 20/20 0.70

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
SCHEMBL1551755 0.93 CHEK2 (0.69) CHEK2
SCHEMBL1552315 0.89 CHEK2 (0.88) CHEK2
SCHEMBL1552727 0.88 CHEK2 (0.68) CHEK2
SCHEMBL1553001 0.87 CHEK2 (0.70) CHEK2
SCHEMBL1552341 0.87 CHEK2 (0.69) CHEK2
SCHEMBL1551724 0.85 CHEK2 (0.87) CHEK2
SCHEMBL5639672 0.84 CHEK2 (0.74) CHEK2
SCHEMBL1552988 0.83 CHEK2 (0.67) CHEK2
SCHEMBL1551751 0.83 CHEK2 (0.85) CHEK2
SCHEMBL1552713 0.82 CHEK2 (0.70) 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