SCHEMBL4789792

SCHEMBL4789792

CCc1nn2c(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc(C(F)(F)F)c4)c3)ccnc2c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.48
RAF1 P04049 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL4789791 1.00 BRAF (0.52) BRAFMEN1KMT2AMAPTRAF1
SCHEMBL4760404 0.85 BRAF (0.52) BRAFRAF1MAPK14
SCHEMBL5622507 0.84 BRAF (0.51) BRAFRAF1MAPK14
SCHEMBL4655952 0.81 BRAF (0.80) BRAF
SCHEMBL4760049 0.81 BRAF (0.53) BRAFRAF1MAPK14
SCHEMBL4761959 0.81 BRAF (0.66) BRAFRAF1MAPK14
SCHEMBL4656854 0.79 BRAF (0.76) BRAFMEN1KMT2AMAPT
SCHEMBL4791490 0.79 BRAF (0.67) BRAFRAF1MAPK14
SCHEMBL3171563 0.78 KDM4E (0.54) BRAF
SCHEMBL4790686 0.77 BRAF (0.46) BRAFMEN1KMT2ARAF1MAPK14

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 claimed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO claimed