SCHEMBL6120657

SCHEMBL6120657

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 14/20 0.37
JAK2 O60674 1/20 0.32
BRAF P15056 2/20 0.31
BTK Q06187 2/20 0.31
EGFR P00533 1/20 0.31
CSNK1E P49674 1/20 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
SCHEMBL6120439 0.93 PTGES2 (0.35) PTGES2JAK2BRAFBTKEGFR
SCHEMBL6120967 0.91 WDR5 (0.36) PTGES2JAK2BRAF
SCHEMBL6121578 0.91 BRAF (0.33) PTGES2JAK2BRAFBTKEGFR
SCHEMBL6121300 0.90 PTGES2 (0.38) PTGES2BRAFBTKEGFR
SCHEMBL6120754 0.87 BTK (0.33) BRAFBTKEGFRCSNK1E
SCHEMBL6121002 0.86 BRAF (0.34) PTGES2JAK2BRAF
SCHEMBL6121837 0.86 PTGES2 (0.32) PTGES2JAK2
SCHEMBL6121078 0.85 PTGES2 (0.35) PTGES2BRAF
SCHEMBL6120796 0.85 CSNK1D (0.39) BTKEGFRCSNK1E
SCHEMBL6121823 0.84 CYP3A4 (0.36) PTGES2JAK2BRAF

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