SCHEMBL16162155

SCHEMBL16162155

O=C(Nc1c(F)ccc(NS(=O)(=O)c2ccccn2)c1F)Oc1cnc2[nH]cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.46
SLC40A1 Q9NP59 2/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
METAP2 P50579 1/20 0.35
GLO1 Q04760 1/20 0.34

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
SCHEMBL16162128 0.88 BRAF (0.44) BRAF
SCHEMBL16162151 0.87 CYP2D6 (0.43) BRAFSLC40A1
SCHEMBL16162139 0.86 BRAF (0.46) BRAFSLC40A1
SCHEMBL16162113 0.86 BRAF (0.48) BRAFSLC40A1
SCHEMBL16162136 0.85 CYP2C19 (0.40) BRAF
SCHEMBL287622 0.85 BRAF (0.47) BRAFSLC40A1JAK2JAK1TYK2
SCHEMBL16162106 0.85 CYP3A4 (0.47) BRAF
SCHEMBL16161898 0.84 CYP2C9 (0.46) BRAF
SCHEMBL16162152 0.82 BRAF (0.47) BRAF
SCHEMBL16161908 0.82 BRAF (0.45) BRAF

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
EP-2170830-B1 2-FLUORO-BENZENESULFONAMIDE COMPOUNDS AS Raf KINASE MODULATORS PLEXXIKON INC (US) 2014-10-15 EP claimed