SCHEMBL2359451

SCHEMBL2359451

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
MAPK14 Q16539 2/20 0.34
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 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
SCHEMBL2358155 0.93 MAPK14 (0.39) BRAFMAPK3MAPK1MAPTKDM4E
SCHEMBL2359750 0.91 PPARG (0.34) BRAFMAPK3MAPK1MAPTKDM4E
SCHEMBL2358917 0.91 MAPT (0.34) BRAFMAPK3MAPK1MAPTKDM4E
SCHEMBL14108522 0.91 MAPK1 (0.37) BRAFMAPK3MAPK1MAPTKDM4E
SCHEMBL2315315 0.91 BRAF (0.37) BRAFMAPK3MAPK1MAPTKDM4E
SCHEMBL2357717 0.88 BRAF (0.34) BRAFMAPK3MAPK1MAPK14FABP4
SCHEMBL2359292 0.88 MAPK14 (0.35) BRAFMAPK3MAPK1MAPTKDM4E
SCHEMBL14719496 0.88 BRAF (0.35) BRAFMAPK3MAPK1MAPTKDM4E
SCHEMBL2357132 0.85 BRAF (0.34) BRAFMAPK3MAPK1MAPTKDM4E
SCHEMBL2316012 0.85 BRAF (0.35) BRAFMAPK3MAPK1MAPK14RORC

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
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
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