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SCHEMBL1381010

SCHEMBL1381010

NC(=O)c1ccc2nc(-c3ccc(Cc4ccc5c(c4)OCCO5)cc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 19/20 1.00
▸ HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL3565581 0.92 CHEK2 (0.85) CHEK2HDAC6
SCHEMBL5676245 0.83 CHEK2 (1.00) CHEK2
SCHEMBL3570736 0.82 CHEK2 (0.70) CHEK2HDAC6
SCHEMBL5677658 0.81 CHEK2 (1.00) CHEK2
SCHEMBL20982670 0.80 CHEK2 (0.86) CHEK2
SCHEMBL5176577 0.79 CHEK2 (0.66) CHEK2HDAC6
SCHEMBL3567003 0.78 CHEK2 (0.84) CHEK2HDAC6
SCHEMBL5177967 0.77 CHEK2 (1.00) CHEK2
SCHEMBL1382147 0.76 CHEK2 (0.73) CHEK2
SCHEMBL18229580 0.75 HDAC6 (1.00) CHEK2HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726235-B2 — — 2011-07-20 — — JP claimed
EP-1613313-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-11 — — EP claimed
WO-2004093873-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-`4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-04 — — WO claimed
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