SCHEMBL5177595

SCHEMBL5177595

NC(=O)Oc1ccc2[nH]c(-c3ccc(C(O)c4cc5c(cc4Cl)OCO5)cc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 19/20 0.68
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL5177920 0.87 CHEK2 (0.66) CHEK2PARP1
SCHEMBL1378501 0.86 CHEK2 (0.86) CHEK2
SCHEMBL5176900 0.84 CHEK2 (0.66) CHEK2
SCHEMBL3573484 0.84 CHEK2 (0.73) CHEK2
SCHEMBL5178716 0.83 CHEK2 (0.65) CHEK2
SCHEMBL5178365 0.82 CHEK2 (0.67) CHEK2
SCHEMBL5177246 0.82 CHEK2 (0.69) CHEK2
SCHEMBL5176810 0.82 CHEK2 (0.62) CHEK2
SCHEMBL5176065 0.82 CHEK2 (0.66) CHEK2
SCHEMBL5179098 0.81 CHEK2 (0.64) 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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