SCHEMBL5675952

SCHEMBL5675952

N#CC(c1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 20/20 0.77
▸ MEN1 O00255 1/20 0.68
▸ THRB P10828 1/20 0.68
▸ KMT2A Q03164 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
SCHEMBL1380004 0.92 CHEK2 (0.64) CHEK2MEN1THRBKMT2A
SCHEMBL5680477 0.84 CHEK2 (1.00) CHEK2MEN1THRBKMT2A
SCHEMBL20982670 0.81 CHEK2 (0.86) CHEK2
SCHEMBL3922206 0.81 CHEK2 (1.00) CHEK2MEN1THRBKMT2A
SCHEMBL3917268 0.81 CHEK2 (0.84) CHEK2MEN1THRBKMT2A
SCHEMBL1378686 0.80 CHEK2 (0.71) CHEK2MEN1THRBKMT2A
SCHEMBL6643076 0.79 CHEK2 (0.80) CHEK2MEN1THRBKMT2A
SCHEMBL5680091 0.79 CHEK2 (1.00) CHEK2MEN1THRBKMT2A
SCHEMBL5178371 0.78 CHEK2 (0.48) CHEK2MEN1THRBKMT2A
SCHEMBL1379622 0.78 CHEK2 (0.83) CHEK2MEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
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 disclosed
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