Submission Details

Molecule(s):
NC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O

JAG-UCB-ef2c0e8e-1

NC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O

O=C1CC[C@H](C(=O)Nc2cccc(Br)c2)N1

JAG-UCB-ef2c0e8e-2

O=C1CC[C@H](C(=O)Nc2cccc(Br)c2)N1

Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1

JAG-UCB-ef2c0e8e-3

Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccc(-n2ncc3c(=O)n(CC(N)=O)cnc32)cc1C

JAG-UCB-ef2c0e8e-4

Cc1ccc(-n2ncc3c(=O)n(CC(N)=O)cnc32)cc1C

Nc1ncc(S(=O)(=O)NCc2cccc(Cl)c2)cn1

JAG-UCB-ef2c0e8e-5

Nc1ncc(S(=O)(=O)NCc2cccc(Cl)c2)cn1

CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1

JAG-UCB-ef2c0e8e-6

CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1

Cn1cnnc1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O

JAG-UCB-ef2c0e8e-7

Cn1cnnc1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O

Cc1cccc(CS(=O)(=O)N2CCC(C(N)=O)CC2)c1

JAG-UCB-ef2c0e8e-8

Cc1cccc(CS(=O)(=O)N2CCC(C(N)=O)CC2)c1

Cc1ccc(C)c(NC(=O)[C@H]2CNC(=O)C2)c1

JAG-UCB-ef2c0e8e-9

Cc1ccc(C)c(NC(=O)[C@H]2CNC(=O)C2)c1

O=C1CC[C@@H](C(=O)Nc2cccc(Cl)c2)CN1

JAG-UCB-ef2c0e8e-10

O=C1CC[C@@H](C(=O)Nc2cccc(Cl)c2)CN1


Design Rationale:

SureChEMBL pharmacophore search

Other Notes:

based on initial amino-pyridine non-covalent hits. Submitted by Matt Robinson on Jag's behalf

Discussion: