SCHEMBL5302989

SCHEMBL5302989

COc1cccc(N(C(N)=O)c2cccc(C#Cc3c(N)ncnc3N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
FFAR1 O14842 1/20 0.41
FGFR2 P21802 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ADK P55263 2/20 0.38
HAO1 Q9UJM8 2/20 0.38
MAP4K4 O95819 1/20 0.37
GRM5 P41594 1/20 0.37
PARP1 P09874 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL5101060 0.87 EGLN1 (0.42) ABL1TP53HTTCA12CA1
SCHEMBL4721937 0.86 ADK (0.37) ABL1CA12CA1CA2CA9
SCHEMBL27696224 0.84 PTGES (0.44) ABL1CA12CA1CA2CA9
SCHEMBL28758771 0.80 TEK (0.44) ABL1FFAR1MAP4K4GRM5KIT
SCHEMBL27649219 0.80 LCK (0.39) ABL1FFAR1ADKGRM5KDR
SCHEMBL27672598 0.79 ADK (0.38) ABL1CA12CA1CA2CA9
SCHEMBL28382188 0.78 PARP1 (0.56) TP53HTTPARP1
SCHEMBL27669464 0.78 ADK (0.33) ABL1ADKGRM5KITKDR
SCHEMBL27669462 0.78 ADK (0.39) ADKPI4K2A
SCHEMBL3581653 0.78 ADK (0.38) ABL1CA12CA1CA2CA9

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
CN-1917880-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN 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