SCHEMBL30870451

SCHEMBL30870451

CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CNCCC)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.81
TLR8 Q9NR97 10/20 0.81

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
SCHEMBL19196890 0.90 TLR7 (1.00) TLR7TLR8
SCHEMBL19196883 0.90 TLR7 (0.87) TLR7TLR8
SCHEMBL19196887 0.90 TLR7 (0.87) TLR7TLR8
SCHEMBL19196821 0.89 TLR7 (0.85) TLR7TLR8
SCHEMBL19196895 0.89 TLR7 (0.85) TLR7TLR8
SCHEMBL30870436 0.89 TLR7 (0.69) TLR7TLR8
SCHEMBL19197049 0.88 TLR7 (0.84) TLR7TLR8
SCHEMBL19196893 0.88 TLR7 (0.83) TLR7TLR8
SCHEMBL19196886 0.87 TLR7 (0.81) TLR7TLR8
SCHEMBL19196892 0.87 TLR7 (0.81) TLR7TLR8

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-2024112932-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-05-30 WO disclosed