SCHEMBL3965133

SCHEMBL3965133

Nc1ncnc2[nH]c(Cc3c(F)cccc3F)nc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.42
MPO P05164 1/20 0.39
PI4KA P42356 3/20 0.37
PI4K2B Q8TCG2 3/20 0.37
PI4K2A Q9BTU6 3/20 0.37
PI4KB Q9UBF8 3/20 0.37
IGF1R P08069 2/20 0.37
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
PPP1CA P62136 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL16487299 0.83 TAAR1 (0.44) MAP4K4MPOPI4KAPI4K2BPI4K2A
SCHEMBL11014112 0.81 LRRK2 (0.39) MPOLRRK2
SCHEMBL870860 0.78 PI4KA (0.52) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL21170713 0.75 MAP4K4 (0.41) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL16487159 0.74 XIAP (0.38) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL16487031 0.74 MAP4K4 (0.45) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL5066797 0.72 PI4KA (0.43) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL5045443 0.71 HSP90AA1 (0.53) MAP4K4MPOPI4KAPI4K2BPI4K2A
SCHEMBL3652806 0.71 FEN1 (0.34) MPOIGF1RPKMNPSR1NPC1
SCHEMBL6683145 0.70 PI4KA (0.42) MAP4K4PI4KAPI4K2BPI4K2API4KB

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 1 patent. 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 disclosed