SCHEMBL6121996

SCHEMBL6121996

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
BRAF P15056 2/20 0.31
WDR5 P61964 1/20 0.30

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
SCHEMBL6121195 0.92 BRAF (0.32) JAK2BRAFWDR5
SCHEMBL6120580 0.91 SLC34A1 (0.32) JAK2BRAF
SCHEMBL6121002 0.90 BRAF (0.34) JAK2BRAFWDR5
SCHEMBL6120670 0.84 PTGES2 (0.37) BRAFWDR5
SCHEMBL6120692 0.84 TP53 (0.37) BRAF
SCHEMBL6120617 0.83 BRAF (0.32) BRAFWDR5
SCHEMBL6120439 0.83 PTGES2 (0.35) JAK2BRAF
SCHEMBL6120657 0.82 PTGES2 (0.37) JAK2BRAF
SCHEMBL6121823 0.82 CYP3A4 (0.36) JAK2BRAFWDR5
SCHEMBL6121578 0.82 BRAF (0.33) JAK2BRAF

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