SCHEMBL4721937

SCHEMBL4721937

NC(=O)N(c1ccccc1)c1cccc(C#Cc2c(N)ncnc2N)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADK P55263 7/20 0.37
GRM5 P41594 1/20 0.36
PLAU P00749 1/20 0.35
ABL1 P00519 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FFAR1 O14842 1/20 0.34
ALOX5 P09917 1/20 0.34
KDR P35968 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
RET P07949 3/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL3581653 0.91 ADK (0.38) ADKGRM5ABL1PIK3CDPIK3CA
SCHEMBL27649219 0.88 LCK (0.39) ADKGRM5ABL1FFAR1ALOX5
SCHEMBL5302989 0.86 ABL1 (0.45) ADKGRM5ABL1CA12CA1
SCHEMBL28758771 0.86 TEK (0.44) GRM5ABL1FFAR1KDRPTGDR2
SCHEMBL27672591 0.85 LCK (0.42) GRM5PLAUFFAR1ALOX5KDR
SCHEMBL28761800 0.84 ALOX5 (0.35) ADKGRM5ABL1ALOX5
SCHEMBL27669462 0.84 ADK (0.39) ADK
SCHEMBL5250424 0.81 KDR (0.38) ADKKDR
SCHEMBL27669464 0.81 ADK (0.33) ADKGRM5ABL1PIK3CDPIK3CA
SCHEMBL5250427 0.80 NPC1 (0.37) ADKKDRRET

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-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed
CN-1917880-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN disclosed