SCHEMBL25520064

SCHEMBL25520064

Cc1ccnc2cc(-c3cc(O)c(C(C)C)c(O)c3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 6/20 0.44
▸ RET P07949 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ RIPK3 Q9Y572 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CCR8 P51685 1/20 0.36
▸ TGFBR1 P36897 2/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ PKMYT1 Q99640 2/20 0.34
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 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
SCHEMBL25522336 0.91 TLR8 (0.40) TLR8RETRIPK1RIPK3CCR1
SCHEMBL25522432 0.84 NR4A2 (0.45) TLR8TGFBR1RIPK2EGFRALK
SCHEMBL25524005 0.82 TLR8 (0.41) TLR8RETRIPK1RIPK3CCR1
SCHEMBL25521679 0.80 TLR9 (0.41) TLR8TGFBR1EGFRTLR9TLR7
SCHEMBL25522342 0.77 NR4A2 (0.40) TLR8TGFBR1RIPK2EGFRTLR9
SCHEMBL25521410 0.76 RAF1 (0.41) TLR8TLR9TLR7MAPKAPK2
SCHEMBL25523476 0.74 MAPKAPK2 (0.46) RETRIPK2MAPKAPK2
SCHEMBL30726157 0.73 INPPL1 (0.35) TLR8
SCHEMBL25523543 0.73 TGFBR1 (0.46) TGFBR1EGFRALDH1A1HPGDMAPK1
SCHEMBL25519630 0.72 AURKA (0.49) TLR8RETCCR1CCR5CCR8

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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