SCHEMBL5177967

SCHEMBL5177967

NC(=O)c1ccc2nc(-c3ccc(C(O)c4ccc5c(c4)OCO5)cc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 20/20 1.00

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
SCHEMBL5676245 0.94 CHEK2 (1.00) CHEK2
SCHEMBL1379297 0.92 CHEK2 (0.85) CHEK2
SCHEMBL1381793 0.86 CHEK2 (0.85) CHEK2
SCHEMBL5675973 0.83 CHEK2 (1.00) CHEK2
SCHEMBL3565315 0.83 CHEK2 (0.71) CHEK2
SCHEMBL5676214 0.82 CHEK2 (1.00) CHEK2
SCHEMBL1380924 0.81 CHEK2 (1.00) CHEK2
SCHEMBL5680491 0.81 CHEK2 (1.00) CHEK2
SCHEMBL1382147 0.81 CHEK2 (0.73) CHEK2
SCHEMBL5177920 0.80 CHEK2 (0.66) 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
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