SCHEMBL1869723

SCHEMBL1869723

Nc1cccc(-c2nc(C3CCOCC3)sc2-c2ccncc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.34
NR1I2 O75469 2/20 0.34
RPS6KA3 P51812 1/20 0.33
KCNH2 Q12809 2/20 0.33
MAPK14 Q16539 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
ERBB2 P04626 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL1127452 0.82 BRAF (0.49) BRAFNR1I2MAPK14RAF1
SCHEMBL1127200 0.82 BRAF (0.43) BRAFNR1I2KCNH2EGFR
SCHEMBL12230875 0.81 BRAF (0.43) BRAFNR1I2KCNH2HDAC3HDAC1
SCHEMBL12482610 0.79 PIK3CA (0.41) BRAFMAPK14SRC
SCHEMBL1868885 0.79 BRAF (0.36) BRAFNR1I2KCNH2EGFRRAF1
SCHEMBL12669260 0.77 BRAF (0.43) BRAFNR1I2
SCHEMBL17297140 0.75 BRAF (0.62) BRAFNR1I2RAF1
SCHEMBL12669139 0.75 BRAF (0.39) BRAFNR1I2HDAC3HDAC1HDAC2
SCHEMBL1890116 0.73 BRAF (0.44) BRAFNR1I2MAPK14ACE2HDAC3
SCHEMBL1875099 0.71 BRAF (0.38) BRAFNR1I2EGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed