SCHEMBL3957806

SCHEMBL3957806

COCCOc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.51
MERTK Q12866 2/20 0.51
TYRO3 Q06418 1/20 0.51
FLT3 P36888 1/20 0.49
TLR7 Q9NYK1 7/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PDE8A O60658 1/20 0.44
NUDT1 P36639 1/20 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
SCHEMBL3957420 0.89 AXL (0.51) AXLMERTKTYRO3FLT3TLR7
SCHEMBL7206653 0.83 TLR7 (0.51) TLR7ADORA2AADORA1NUDT1
SCHEMBL509407 0.83 TLR7 (0.64) TLR7ADORA2ANUDT1
SCHEMBL16481581 0.82 TLR7 (0.52) TLR7ADORA2APDE8ANUDT1
SCHEMBL2058751 0.80 TLR7 (0.50) TLR7ADORA2ANUDT1
SCHEMBL3922033 0.80 YTHDC1 (0.53) TLR7ADORA2AADORA1NUDT1
SCHEMBL17154082 0.80 TLR7 (0.52) TLR7PDE8ANUDT1
SCHEMBL9738975 0.80 ADORA2A (0.65) AXLMERTKTYRO3FLT3ADORA2A
SCHEMBL9738479 0.79 AXL (0.53) AXLMERTKTYRO3FLT3ADORA2A
SCHEMBL12305232 0.79 TLR7 (0.46) TLR7NUDT1

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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO claimed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed