SCHEMBL1552404

SCHEMBL1552404

NC(=O)Oc1ccc2[nH]c(-c3ccc(OCC4CCCN(Cc5ccc(Cl)cc5)C4)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
SCHEMBL1552685 0.94 CHEK2 (0.75) CHEK2
SCHEMBL1553000 0.93 CHEK2 (0.76) CHEK2
SCHEMBL1552667 0.93 CHEK2 (0.76) CHEK2
SCHEMBL1552711 0.93 CHEK2 (0.75) CHEK2
SCHEMBL1552670 0.91 CHEK2 (0.88) CHEK2
SCHEMBL5642028 0.88 CHEK2 (0.76) CHEK2
SCHEMBL1552720 0.88 CHEK2 (0.74) CHEK2
SCHEMBL1552324 0.85 CHEK2 (0.74) CHEK2
SCHEMBL1552705 0.84 CHEK2 (0.88) CHEK2
SCHEMBL1551654 0.84 CHEK2 (0.75) 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