SCHEMBL25575191

SCHEMBL25575191

CCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.44
TLR8 Q9NR97 6/20 0.43
DHFR P00374 1/20 0.41
NLRP3 Q96P20 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
SCHEMBL25575194 0.91 TLR7 (0.56) TLR7TLR8
SCHEMBL29374313 0.91 TLR7 (0.54) TLR7TLR8DHFR
SCHEMBL3861399 0.91 TLR7 (0.54) TLR7TLR8DHFR
SCHEMBL3860807 0.91 TLR7 (0.54) TLR7TLR8DHFR
SCHEMBL3860817 0.91 TLR7 (0.54) TLR7TLR8DHFR
SCHEMBL2113100 0.84 TLR7 (0.52) TLR7TLR8DHFRNLRP3
SCHEMBL483282 0.83 TLR7 (0.60) TLR7TLR8
SCHEMBL30346099 0.83 TLR7 (0.60) TLR7TLR8
SCHEMBL3861633 0.83 TLR7 (0.46) TLR7TLR8
SCHEMBL2115601 0.83 TLR7 (0.55) TLR7TLR8DHFR

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
EP-3166640-B1 COMBINATION THERAPY COMPOSITIONS AND METHODS FOR TREATING CANCERS BIRDIE BIOPHARMACEUTICALS INC (KY) 2023-06-14 EP disclosed