SCHEMBL22368550

SCHEMBL22368550

CCCC(C)(CNC(C)=O)Nc1nc(I)nc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 16/20 0.55
▸ TLR7 Q9NYK1 7/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19940905 0.88 TLR8 (0.73) TLR8TLR7
SCHEMBL19940723 0.88 TLR8 (0.73) TLR8TLR7
SCHEMBL19991818 0.88 TLR8 (0.55) TLR8TLR7L3MBTL1
SCHEMBL19940947 0.88 TLR8 (0.55) TLR8TLR7L3MBTL1
SCHEMBL18125210 0.82 TLR8 (0.74) TLR8TLR7
SCHEMBL18125191 0.82 TLR8 (0.74) TLR8TLR7
SCHEMBL18109696 0.81 TLR8 (0.74) TLR8TLR7
SCHEMBL18109762 0.81 TLR8 (0.57) TLR8TLR7L3MBTL1
SCHEMBL18109697 0.81 TLR8 (0.74) TLR8TLR7
SCHEMBL18109764 0.81 TLR8 (0.57) TLR8TLR7L3MBTL1

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-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 — — EP disclosed
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