SCHEMBL14466554

SCHEMBL14466554

CCOc1nc(-c2ccc(Cl)c(Cl)c2)c2c(NN)c(C(N)=O)sc2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.58
PDE4A P27815 10/20 0.54
PDE4B Q07343 10/20 0.54
PDE4C Q08493 10/20 0.54
PDE4D Q08499 10/20 0.54
EEF2K O00418 2/20 0.40
HSP90AB1 P08238 1/20 0.40
EIF4E P06730 1/20 0.39
DHODH Q02127 1/20 0.37
IKBKB O14920 2/20 0.37
LIMK1 P53667 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
RCE1 Q9Y256 1/20 0.36
RIPK2 O43353 1/20 0.36

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
SCHEMBL4898463 0.87 BRAF (0.74) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281589 0.81 BRAF (0.63) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4904031 0.80 BRAF (0.72) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4904040 0.73 BRAF (0.84) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909324 0.73 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4902994 0.73 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281412 0.71 BRAF (0.81) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906905 0.71 BRAF (0.79) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4898188 0.71 BRAF (0.79) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14306527 0.71 BRAF (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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