SCHEMBL5178385

SCHEMBL5178385

Cc1ccc(C(=O)c2ccc(-c3nc4cc(OC(N)=O)ccc4[nH]3)cc2)cc1C

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 18/20 0.65

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
SCHEMBL5176314 0.90 CHEK2 (0.63) CHEK2
SCHEMBL5178704 0.88 CHEK2 (0.69) CHEK2
SCHEMBL5252621 0.87 CHEK2 (0.67) CHEK2
SCHEMBL5177257 0.87 CHEK2 (0.62) CHEK2
SCHEMBL5188393 0.86 CHEK2 (0.66) CHEK2
SCHEMBL5178404 0.86 CHEK2 (0.63) CHEK2
SCHEMBL5178767 0.86 CHEK2 (0.63) CHEK2
SCHEMBL3565838 0.85 CHEK2 (0.83) CHEK2
SCHEMBL5178276 0.85 CHEK2 (0.66) CHEK2
SCHEMBL5177221 0.85 CHEK2 (0.65) 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-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 EP claimed