SCHEMBL6120643

SCHEMBL6120643

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.34
WDR5 P61964 2/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
JAK2 O60674 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.31

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
SCHEMBL6121823 0.93 CYP3A4 (0.36) BRAFWDR5CYP3A4CYP2C9CYP2C19
SCHEMBL6120967 0.92 WDR5 (0.36) BRAFWDR5CYP3A4CYP2C9CYP2C19
SCHEMBL6121578 0.92 BRAF (0.33) BRAFJAK2PTGES2
SCHEMBL6121195 0.90 BRAF (0.32) BRAFWDR5CYP3A4CYP2C9CYP2C19
SCHEMBL6120874 0.88 BRAF (0.36) BRAFWDR5CYP3A4CYP2C9CYP2C19
SCHEMBL6121013 0.88 WDR5 (0.37) BRAFWDR5CYP3A4CYP2C9CYP2C19
SCHEMBL6121366 0.87 CYP3A4 (0.32) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL6120989 0.87 BRAF (0.34) BRAFWDR5CYP3A4CYP2C9CYP2C19
SCHEMBL6121072 0.87 MAPT (0.36) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL6121078 0.86 PTGES2 (0.35) BRAFWDR5PTGES2

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