SCHEMBL4763789

SCHEMBL4763789

CCc1nn2c(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3Cl)ccnc2c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.60
HTR2A P28223 1/20 0.48
RAF1 P04049 1/20 0.47
MAPK14 Q16539 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 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
SCHEMBL4760528 0.91 BRAF (0.59) BRAFHTR2ARAF1MAPK14
SCHEMBL4655947 0.81 BRAF (0.77) BRAFRAF1MAPK14
SCHEMBL4655843 0.79 BRAF (0.73) BRAFRAF1MAPK14
SCHEMBL4657170 0.79 BRAF (0.73) BRAFRAF1MAPK14
SCHEMBL4655845 0.79 BRAF (0.78) BRAF
SCHEMBL4655700 0.79 BRAF (0.65) BRAFHTR2AMAPK14
SCHEMBL4656892 0.78 BRAF (0.77) BRAF
SCHEMBL3171563 0.77 KDM4E (0.54) BRAF
SCHEMBL4657085 0.77 BRAF (0.77) BRAF
SCHEMBL4760404 0.77 BRAF (0.52) BRAFRAF1MAPK14

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