SCHEMBL6120754

SCHEMBL6120754

NC(=O)c1c(-c2ccc(F)cc2)nn2cc(NS(=O)(=O)CCc3ccc(Br)c(F)c3F)c(C3CC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.33
BRAF P15056 3/20 0.33
EGFR P00533 1/20 0.33
CSNK1E P49674 1/20 0.32
GRIN2B Q13224 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
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
SCHEMBL6121013 0.91 WDR5 (0.37) BRAFGRIN2BWDR5
SCHEMBL6120439 0.88 PTGES2 (0.35) BTKBRAFEGFRCSNK1EGRIN2B
SCHEMBL6121578 0.87 BRAF (0.33) BTKBRAFEGFRCSNK1EGRIN2B
SCHEMBL6120657 0.87 PTGES2 (0.37) BTKBRAFEGFRCSNK1E
SCHEMBL6120639 0.85 WDR5 (0.37) BRAFEGFRWDR5
SCHEMBL6120427 0.84 BRAF (0.35) BRAFWDR5
SCHEMBL6121300 0.82 PTGES2 (0.38) BTKBRAFEGFR
SCHEMBL6120796 0.82 CSNK1D (0.39) BTKEGFRCSNK1E
SCHEMBL6121002 0.81 BRAF (0.34) BRAFWDR5
SCHEMBL6120760 0.80 BTK (0.39) BTKEGFRCSNK1ECA12CA1

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