SCHEMBL25690100

SCHEMBL25690100

CCCNC(=O)C1=Cc2ccc(-c3ccc(N4CCOCC4)nc3)cc2N=C(N)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.45
TLR7 Q9NYK1 4/20 0.45
ATR Q13535 1/20 0.42
CNR2 P34972 2/20 0.41
AOC3 Q16853 1/20 0.40
CYP1A2 P05177 1/20 0.40
MET P08581 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL25684232 0.84 TLR8 (0.54) TLR8TLR7
SCHEMBL12908804 0.78 TLR8 (0.53) TLR8TLR7
SCHEMBL25681750 0.78 TLR8 (0.48) TLR8TLR7
SCHEMBL25688388 0.77 TLR8 (0.53) TLR8TLR7
SCHEMBL1588858 0.76 TLR8 (0.71) TLR8TLR7
SCHEMBL10044374 0.74 TLR8 (0.53) TLR8TLR7
SCHEMBL21841734 0.73 TLR8 (0.54) TLR8TLR7
SCHEMBL12908673 0.73 TLR8 (0.59) TLR8TLR7
SCHEMBL12619381 0.73 TLR8 (0.59) TLR8TLR7
SCHEMBL21841694 0.73 TLR8 (0.53) TLR8TLR7

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-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed