SCHEMBL14466565

SCHEMBL14466565

CNc1nc(-c2ccc(F)c(C)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.70
PDE4A P27815 13/20 0.70
PDE4B Q07343 13/20 0.70
PDE4C Q08493 13/20 0.70
PDE4D Q08499 13/20 0.70
HPGD P15428 1/20 0.50
IKBKB O14920 2/20 0.49
LIMK1 P53667 2/20 0.49
CHUK O15111 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL4899393 0.91 BRAF (0.58) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281346 0.83 BRAF (0.78) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4923252 0.83 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4918120 0.82 BRAF (0.75) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906962 0.81 BRAF (0.68) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4924409 0.81 BRAF (0.70) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4899466 0.81 BRAF (0.70) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14466584 0.80 BRAF (0.66) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4903856 0.78 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4904094 0.78 BRAF (0.85) 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