SCHEMBL29653636

SCHEMBL29653636

COCCNc1nc(N)nc2cc(I)sc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 9/20 0.45
▸ TLR8 Q9NR97 8/20 0.45
▸ ILK Q13418 1/20 0.41
▸ NCF1 P14598 2/20 0.38
▸ APP P05067 2/20 0.35
▸ LDHA P00338 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL23514158 1.00 TLR7 (0.45) TLR7TLR8ILKNCF1APP
SCHEMBL23513867 0.85 APP (0.50) TLR7TLR8APP
SCHEMBL29653626 0.85 APP (0.50) TLR7TLR8APP
SCHEMBL23500421 0.80 ILK (0.40) TLR7TLR8ILKAPPLMNA
SCHEMBL29653716 0.80 NUDT1 (0.33) APP
SCHEMBL29653633 0.80 PRKCI (0.34) APP
SCHEMBL23513933 0.80 NUDT1 (0.33) APP
SCHEMBL23513935 0.80 PRKCI (0.34) APP
SCHEMBL23514066 0.80 TLR8 (0.34) TLR7TLR8APPCYP2D6
SCHEMBL29653671 0.80 TLR8 (0.34) TLR7TLR8APPCYP2D6

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
CN-114555565-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-05-27 — — CN disclosed
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