SCHEMBL4717784

SCHEMBL4717784

CN(C)CCNc1ncncc1C#Cc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
RET P07949 3/20 0.43
FLT3 P36888 7/20 0.43
RAF1 P04049 4/20 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
SCHEMBL4718597 0.96 BRAF (0.46) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4723181 0.95 BRAF (0.45) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4718146 0.91 MEN1 (0.48) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4719574 0.91 MEN1 (0.48) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4719821 0.88 BRAF (0.46) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4718598 0.87 BRAF (0.45) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4717473 0.87 MEN1 (0.51) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4721835 0.87 BRAF (0.53) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4719770 0.87 MEN1 (0.53) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL4720600 0.87 MEN1 (0.47) BRAFMEN1NPC1RAB9AKMT2A

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 4 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-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
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