SCHEMBL4790686

SCHEMBL4790686

CCc1nn2c(-c3cccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3)ccnc2c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.46
EPHB4 P54760 1/20 0.45
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK14 Q16539 1/20 0.43
HSD17B2 P37059 1/20 0.43

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
SCHEMBL3171563 0.86 KDM4E (0.54) BRAF
SCHEMBL4760049 0.80 BRAF (0.53) BRAFRAF1MAPK14
SCHEMBL4655907 0.78 BRAF (0.76) BRAF
SCHEMBL4789792 0.77 BRAF (0.52) BRAFMEN1KMT2ARAF1MAPK14
SCHEMBL4789791 0.77 BRAF (0.52) BRAFMEN1KMT2ARAF1MAPK14
SCHEMBL4760404 0.77 BRAF (0.52) BRAFRAF1MAPK14
SCHEMBL11465926 0.76 BRAF (0.56) BRAFMEN1KMT2A
SCHEMBL5622507 0.76 BRAF (0.51) BRAFRAF1MAPK14
SCHEMBL11465978 0.76 KDM4E (0.52) BRAF
SCHEMBL5621150 0.76 ALDH1A1 (0.46) BRAFGAAMEN1KMT2A

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-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed