SCHEMBL28174152

SCHEMBL28174152

Nn1cnc2c(I)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.37
ADORA1 P30542 8/20 0.37
PI4KA P42356 9/20 0.34
PI4K2B Q8TCG2 9/20 0.34
PI4K2A Q9BTU6 9/20 0.34
PI4KB Q9UBF8 9/20 0.34
ADORA2B P29275 4/20 0.34
GSK3B P49841 1/20 0.33
EGFR P00533 1/20 0.33
AHCY P23526 1/20 0.32
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
YTHDC1 Q96MU7 1/20 0.32

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
SCHEMBL667204 0.77 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL16949893 0.75 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL16949944 0.75 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1868819 0.75 FDPS (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL18721931 0.75 ADORA1 (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL15829723 0.75 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5490469 0.75 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL320849 0.75 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24239183 0.71 CYP1A2 (0.54) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5699095 0.71 FLT4 (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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
CN-104788485-B The method for preparing antiviral agent 百时美-施贵宝爱尔兰控股公司 2017-10-03 CN disclosed