SCHEMBL5282164

SCHEMBL5282164

Nc1ncnc(N)c1C#Cc1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADK P55263 5/20 0.38
RET P07949 4/20 0.38
ABL1 P00519 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
LRRK2 Q5S007 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL5250409 0.79 GRM5 (0.37) MAP4K4
SCHEMBL5492434 0.73 MAPT (0.59) ADKPIK3CAMTOR
SCHEMBL3583467 0.72 ABL1 (0.51) ADKRETABL1MAP4K4PIK3CA
SCHEMBL5248785 0.72 GRM5 (0.37)
SCHEMBL2188836 0.72 APP (0.57) MTOR
SCHEMBL4717142 0.71 APP (0.58) ADKRETPIK3CAMTOR
SCHEMBL17262986 0.68 ADK (0.52) ADKRETABL1ADORA3ADORA2A
SCHEMBL5496752 0.67 TSHR (0.46)
SCHEMBL6293395 0.67 CYP2A6 (0.50) PIK3CA
SCHEMBL5252136 0.67 ABL1 (0.46) ADKRETABL1MAP4K4PIK3CA

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-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO disclosed