SCHEMBL4719655

SCHEMBL4719655

CC(C)(C)c1cc(NC(=O)Nc2cccc(C#Cc3cncnc3NCCN3CCCCC3)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.49
RAF1 P04049 12/20 0.48
RET P07949 3/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
ALK Q9UM73 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
SCHEMBL4721535 0.99 BRAF (0.48) BRAFRAF1RETMEN1NPC1
SCHEMBL4719736 0.96 BRAF (0.51) BRAFRAF1RETALK
SCHEMBL4719244 0.95 BRAF (0.49) BRAFRAF1RETALK
SCHEMBL4721876 0.94 BRAF (0.49) BRAFRAF1RETKDRFLT3
SCHEMBL4721107 0.90 BRAF (0.51) BRAFRAF1FLT3
SCHEMBL4720615 0.89 BRAF (0.51) BRAFRAF1RETKDRFLT3
SCHEMBL4716501 0.88 BRAF (0.52) BRAFRAF1MEN1NPC1RAB9A
SCHEMBL4718146 0.88 MEN1 (0.48) BRAFRAF1RETMEN1NPC1
SCHEMBL4719574 0.87 MEN1 (0.48) BRAFRAF1RETMEN1NPC1
SCHEMBL4718677 0.87 BRAF (0.51) BRAFRAF1MEN1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed