SCHEMBL1552337

SCHEMBL1552337

CN1CCC(Oc2ccc(-c3nc4cc(OC(N)=O)ccc4[nH]3)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 18/20 0.69
BRD4 O60885 1/20 0.44
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL1552280 0.95 CHEK2 (0.69) CHEK2BRD4PARP1PARP2
SCHEMBL1551758 0.88 CHEK2 (0.85) CHEK2
SCHEMBL1552362 0.87 CHEK2 (0.70) CHEK2
SCHEMBL21018405 0.86 CHEK2 (0.66) CHEK2BRD4
SCHEMBL1551686 0.86 CHEK2 (0.72) CHEK2
SCHEMBL1552318 0.84 CHEK2 (0.73) CHEK2
SCHEMBL1553042 0.83 CHEK2 (0.67) CHEK2
SCHEMBL21017882 0.83 CHEK2 (0.63) CHEK2BRD4
SCHEMBL1552686 0.83 CHEK2 (0.67) CHEK2
SCHEMBL1552375 0.83 CHEK2 (0.85) 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