SCHEMBL5680477

SCHEMBL5680477

NC(=O)c1ccc2nc(-c3ccc(C(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 20/20 1.00
MEN1 O00255 1/20 0.80
THRB P10828 1/20 0.80
KMT2A Q03164 1/20 0.80

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
SCHEMBL1379094 0.90 CHEK2 (0.81) CHEK2MEN1THRBKMT2A
SCHEMBL20982670 0.89 CHEK2 (0.86) CHEK2
SCHEMBL5680006 0.89 CHEK2 (1.00) CHEK2
SCHEMBL3922206 0.89 CHEK2 (1.00) CHEK2MEN1THRBKMT2A
SCHEMBL3917268 0.89 CHEK2 (0.84) CHEK2MEN1THRBKMT2A
SCHEMBL5679988 0.88 CHEK2 (1.00) CHEK2
SCHEMBL1383161 0.87 CHEK2 (1.00) CHEK2
SCHEMBL6643076 0.87 CHEK2 (0.80) CHEK2MEN1THRBKMT2A
SCHEMBL3333825 0.85 CHEK2 (0.78) CHEK2MEN1THRBKMT2A
SCHEMBL5680606 0.84 CHEK2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
US-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
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