SCHEMBL25824839

SCHEMBL25824839

CCCC(C)(CC)n1c(=O)[nH]c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.45
NSD3 Q9BZ95 3/20 0.38
NSD2 O96028 1/20 0.38
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
PI4KB Q9UBF8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR8 Q9NR97 4/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 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
SCHEMBL25826053 0.93 TLR7 (0.46) TLR7NSD3NSD2PI4KAPI4K2B
SCHEMBL25824901 0.87 TLR7 (0.46) TLR7NSD3NSD2ALDH1A1TLR8
SCHEMBL27057906 0.84 TLR7 (0.51) TLR7NSD3NSD2PI4KAPI4K2B
SCHEMBL25823816 0.81 TLR7 (0.46) TLR7NSD3NSD2PI4KAPI4K2B
SCHEMBL25824578 0.75 TNKS (0.32)
SCHEMBL21372141 0.72 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24420709 0.70 TLR7 (0.46) TLR7NSD3NSD2PI4KAPI4K2B
SCHEMBL6577461 0.70 TLR7 (0.52) TLR7NSD3NSD2PI4KAPI4K2B
SCHEMBL28840194 0.69 DAO (0.30)
SCHEMBL21118446 0.68 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBALDH1A1

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
US-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 US disclosed