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SCHEMBL1383161

SCHEMBL1383161

Cc1ccc(C(=O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 19/20 1.00
▸ PKN1 Q16512 1/20 0.68
▸ PKN2 Q16513 1/20 0.68

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
SCHEMBL1381158 0.90 CHEK2 (0.81) CHEK2
SCHEMBL20982670 0.89 CHEK2 (0.86) CHEK2PKN1PKN2
SCHEMBL5679988 0.88 CHEK2 (1.00) CHEK2
SCHEMBL5680477 0.87 CHEK2 (1.00) CHEK2
SCHEMBL1382565 0.86 CHEK2 (1.00) CHEK2
SCHEMBL5680546 0.84 CHEK2 (1.00) CHEK2
SCHEMBL5680006 0.84 CHEK2 (1.00) CHEK2
SCHEMBL5677491 0.84 CHEK2 (1.00) CHEK2
SCHEMBL11564587 0.84 CHEK2 (0.78) CHEK2
SCHEMBL19994475 0.82 CHEK2 (0.78) CHEK2PKN1PKN2

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