SCHEMBL5178359

SCHEMBL5178359

NC(=O)Oc1ccc2[nH]c(-c3ccc(C(O)C4CCOCC4)cc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 19/20 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
SCHEMBL5178379 0.91 CHEK2 (0.64) CHEK2
SCHEMBL5178982 0.90 CHEK2 (0.53) CHEK2
SCHEMBL5178259 0.89 CHEK2 (0.52) CHEK2
SCHEMBL3563430 0.85 CHEK2 (0.85) CHEK2
SCHEMBL5177271 0.83 CHEK2 (0.52) CHEK2
SCHEMBL5179187 0.83 CHEK2 (0.68) CHEK2
SCHEMBL3577360 0.82 CHEK2 (0.70) CHEK2
SCHEMBL5178239 0.79 CHEK2 (0.61) CHEK2
SCHEMBL5176065 0.79 CHEK2 (0.66) CHEK2
SCHEMBL5178573 0.79 CHEK2 (0.62) 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