SCHEMBL5249787

SCHEMBL5249787

CN(C)CCCCNc1ncc(C#Cc2cccc(NC(=O)N(CC(N)=O)c3cc(C(C)(C)C)on3)c2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.34
FLT3 P36888 4/20 0.34
RET P07949 3/20 0.33
SYK P43405 1/20 0.33
IKBKB O14920 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
FGFR1 P11362 1/20 0.32
GRM5 P41594 1/20 0.32
CSF1R P07333 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
PIM1 P11309 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL4718430 0.88 LCK (0.41) BRAFFLT3RETMEN1NPC1
Acetamide SCHEMBL5249774 0.85 MEN1 (0.46) BRAFFLT3RETMEN1NPC1
SCHEMBL4717345 0.84 MEN1 (0.49) BRAFFLT3RETMEN1NPC1
SCHEMBL4715279 0.82 MEN1 (0.50) BRAFFLT3RETMEN1NPC1
SCHEMBL4717473 0.80 MEN1 (0.51) BRAFFLT3RETMEN1NPC1
SCHEMBL4717609 0.77 BRAF (0.41) BRAFLCK
SCHEMBL4717756 0.77 MEN1 (0.50) BRAFFLT3RETMEN1NPC1
SCHEMBL4719952 0.77 BRAF (0.44) BRAFFGFR1LCK
SCHEMBL4715102 0.76 MEN1 (0.51) BRAFFLT3RETMEN1NPC1
SCHEMBL4717232 0.75 SLC2A1 (0.46) BRAFFLT3SYKKDRJAK3

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-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed