SCHEMBL5137797

SCHEMBL5137797

NC(=O)c1sc2nc(NC3CN(C(=O)O)C3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.80
PDE4A P27815 15/20 0.80
PDE4B Q07343 15/20 0.80
PDE4C Q08493 15/20 0.80
PDE4D Q08499 15/20 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
SCHEMBL4909087 0.93 BRAF (0.77) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909140 0.93 BRAF (0.77) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4926642 0.89 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908043 0.88 BRAF (0.71) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4911905 0.86 BRAF (0.91) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909797 0.86 BRAF (0.84) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281416 0.85 BRAF (0.93) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908862 0.85 BRAF (0.88) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907531 0.85 BRAF (0.88) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906957 0.83 BRAF (0.81) BRAFPDE4APDE4BPDE4CPDE4D

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-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO disclosed