SCHEMBL2316012

SCHEMBL2316012

CCn1cc(-c2ccncc2)c(-c2cc(N(C)S(=O)(=O)c3cc(F)ccc3F)ccc2F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.35
MAPK3 P27361 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
PTGS2 P35354 1/20 0.34
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
RORC P51449 1/20 0.32
S1PR1 P21453 1/20 0.32
KDM2B Q8NHM5 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
SCHEMBL17836540 0.90 BRAF (0.35) BRAFMAPK3MAPK1MAPK14MAPK13
SCHEMBL2315315 0.88 BRAF (0.37) BRAFMAPK3MAPK1MAPK14MAPK13
SCHEMBL14108522 0.88 MAPK1 (0.37) BRAFMAPK3MAPK1MAPK14MAPK13
SCHEMBL2316585 0.87 BRAF (0.35) BRAFMAPK3MAPK1MAPK14MAPK13
SCHEMBL14719496 0.86 BRAF (0.35) BRAFMAPK3MAPK1MAPK14MAPK13
SCHEMBL2359451 0.85 BRAF (0.35) BRAFMAPK3MAPK1MAPK14MAPK13
SCHEMBL2316998 0.85 MAPK14 (0.35) BRAFMAPK3MAPK1MAPK14MAPK13
SCHEMBL2358155 0.85 MAPK14 (0.39) BRAFMAPK3MAPK1MAPK14
SCHEMBL14719370 0.84 MAPK14 (0.33) BRAFMAPK3MAPK1MAPK14
SCHEMBL2316345 0.84 BRAF (0.34) BRAFMAPK3MAPK1MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528909-A1 SULFONAMIDO DERIVATIVES OF 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-12-05 EP claimed
WO-2011092088-A1 SULFONAMIDO DERIVATIVES OF 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-08-04 WO claimed
EP-2528909-A1 SULFONAMIDO DERIVATIVES OF 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-12-05 EP disclosed
WO-2011092088-A1 SULFONAMIDO DERIVATIVES OF 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-08-04 WO disclosed