SCHEMBL574919

SCHEMBL574919

COCN(c1cccc(-c2nn(C(C)C)cc2-c2ccncc2)c1F)S(=O)(=O)c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.35
MAPK14 Q16539 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL575000 0.91 BRAF (0.34) BRAFMAPK14HCRTR1HCRTR2
SCHEMBL15191642 0.82 BRAF (0.36) BRAFMAPK14
SCHEMBL574846 0.80 BRAF (0.33) BRAFMAPK14HCRTR1HCRTR2
SCHEMBL15191841 0.78 BRAF (0.37) BRAFMAPK14
SCHEMBL15192209 0.78 PDE10A (0.36) MAPK14
SCHEMBL574889 0.78 MEN1 (0.35) BRAFMAPK14
SCHEMBL15198328 0.78 BRAF (0.32) BRAF
SCHEMBL574504 0.77 EGFR (0.37) BRAFMAPK14
SCHEMBL15191686 0.77 ROS1 (0.33) HCRTR1HCRTR2
SCHEMBL574887 0.75 BRAF (0.49) BRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601185-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS Nerviano Medical Sciences S.r.l. (IT) 2013-06-12 EP disclosed
WO-2012016993-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-09 WO disclosed