SCHEMBL1552763

SCHEMBL1552763

NC(=O)Oc1ccc2[nH]c(-c3ccc(OCCC4CCN(Cc5ccccc5)CC4)cc3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 18/20 0.74
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54

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
SCHEMBL1551654 0.93 CHEK2 (0.75) CHEK2
SCHEMBL1552355 0.92 CHEK2 (0.75) CHEK2
SCHEMBL1552745 0.92 CHEK2 (0.75) CHEK2
SCHEMBL1552981 0.91 CHEK2 (0.76) CHEK2
SCHEMBL1551770 0.90 CHEK2 (0.88) CHEK2BCHEACHE
SCHEMBL5638539 0.88 CHEK2 (0.77) CHEK2BCHEACHE
SCHEMBL1552385 0.88 CHEK2 (0.77) CHEK2
SCHEMBL1553018 0.87 CHEK2 (0.72) CHEK2BCHEACHE
SCHEMBL1552368 0.85 CHEK2 (0.75) CHEK2
SCHEMBL1551713 0.85 CHEK2 (0.73) 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