SCHEMBL4760049

SCHEMBL4760049

CCc1nn2c(-c3cccc(NC(=O)c4cc(C(F)(F)F)ccc4C)c3)ccnc2c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.53
RAF1 P04049 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL4761959 0.85 BRAF (0.66) BRAFRAF1MAPK14
SCHEMBL3171563 0.83 KDM4E (0.54) BRAF
SCHEMBL4831586 0.81 EPHA2 (0.51) BRAF
SCHEMBL5622507 0.81 BRAF (0.51) BRAFRAF1MAPK14
SCHEMBL4760404 0.81 BRAF (0.52) BRAFRAF1MAPK14
SCHEMBL4789792 0.81 BRAF (0.52) BRAFRAF1MAPK14
SCHEMBL4789791 0.81 BRAF (0.52) BRAFRAF1MAPK14
SCHEMBL4656894 0.80 BRAF (0.81) BRAF
SCHEMBL4790686 0.80 BRAF (0.46) BRAFRAF1MAPK14
SCHEMBL4658310 0.79 HPGD (0.47) BRAF

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