SCHEMBL1552368

SCHEMBL1552368

NC(=O)Oc1ccc2[nH]c(-c3ccc(OCCC4CCCCN4Cc4ccccc4)cc3)nc2c1

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
SCHEMBL1552666 0.93 CHEK2 (0.76) CHEK2
SCHEMBL1551745 0.92 CHEK2 (0.76) CHEK2
SCHEMBL1552310 0.92 CHEK2 (0.76) CHEK2
SCHEMBL1551765 0.91 CHEK2 (0.77) CHEK2
SCHEMBL1552653 0.91 CHEK2 (0.88) CHEK2
SCHEMBL5641077 0.89 CHEK2 (0.78) CHEK2
SCHEMBL1552293 0.87 CHEK2 (0.78) CHEK2
SCHEMBL1552763 0.85 CHEK2 (0.74) CHEK2
SCHEMBL1552937 0.84 CHEK2 (0.74) CHEK2
SCHEMBL1551673 0.84 CHEK2 (0.88) 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