SCHEMBL6121002

SCHEMBL6121002

O=C(O)c1c(-c2ccc(F)cc2)nn2cc(NS(=O)(=O)CCc3ccc(Br)c(F)c3)c(C3CC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.34
PTGES2 Q9H7Z7 7/20 0.33
JAK2 O60674 1/20 0.33
WDR5 P61964 1/20 0.32
ACLY P53396 1/20 0.32

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
SCHEMBL6120670 0.94 PTGES2 (0.37) BRAFPTGES2WDR5ACLY
SCHEMBL6120439 0.93 PTGES2 (0.35) BRAFPTGES2JAK2
SCHEMBL6120617 0.93 BRAF (0.32) BRAFPTGES2WDR5ACLY
SCHEMBL6121823 0.92 CYP3A4 (0.36) BRAFPTGES2JAK2WDR5
SCHEMBL6121996 0.90 JAK2 (0.32) BRAFJAK2WDR5
SCHEMBL6121104 0.90 BRAF (0.34) BRAF
SCHEMBL6120642 0.89 BRAF (0.38) BRAFJAK2WDR5ACLY
SCHEMBL6121300 0.87 PTGES2 (0.38) BRAFPTGES2
SCHEMBL6120692 0.86 TP53 (0.37) BRAF
SCHEMBL6120874 0.86 BRAF (0.36) BRAFPTGES2WDR5

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-2012067664-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed