SCHEMBL25373584

SCHEMBL25373584

C=CCCOCc1c[nH]c(=O)cc1-c1cnc2c(NC(C)(CO)CCCC)nc(N)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.52
▸ TLR7 Q9NYK1 3/20 0.47

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
SCHEMBL25373579 1.00 TLR8 (0.52) TLR8TLR7
SCHEMBL25377708 0.88 TLR8 (0.60) TLR8TLR7
SCHEMBL25377317 0.87 TLR8 (0.51) TLR8TLR7
SCHEMBL25377310 0.87 TLR8 (0.51) TLR8TLR7
SCHEMBL25375481 0.85 TLR8 (0.59) TLR8TLR7
SCHEMBL25375717 0.85 TLR8 (0.59) TLR8TLR7
SCHEMBL25375695 0.85 TLR8 (0.59) TLR8TLR7
SCHEMBL25376383 0.84 TLR8 (0.58) TLR8TLR7
SCHEMBL25376373 0.84 TLR8 (0.58) TLR8TLR7
SCHEMBL25377720 0.84 TLR8 (0.51) 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-2023160527-A1 PYRIMIDO AROMATIC RING COMPOUND AND USE THEREOF IN DRUG 广东东阳光药业股份有限公司 2023-08-31 — — WO disclosed
Send feedback