SCHEMBL25522336

SCHEMBL25522336

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.40
▸ TGFBR1 P36897 2/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ RET P07949 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.33
▸ RIPK2 O43353 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ CSF1R P07333 2/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL25520064 0.91 TLR8 (0.44) TLR8TGFBR1RETRIPK1RIPK3
SCHEMBL25522342 0.86 NR4A2 (0.40) TLR8TGFBR1RIPK2EGFRRAF1
SCHEMBL27033369 0.80 SYK (0.37) TGFBR1CSF1RRAF1BRAFAAK1
SCHEMBL27033254 0.80 INPPL1 (0.35) TLR8CSF1RRAF1BRAFAAK1
SCHEMBL30726157 0.80 INPPL1 (0.35) TLR8CSF1RRAF1BRAFAAK1
SCHEMBL27033333 0.78 SYK (0.33) TLR8CSF1RAAK1
SCHEMBL25522353 0.78 TLR8 (0.38) TLR8TGFBR1ERN1RETRIPK1
SCHEMBL25524005 0.77 TLR8 (0.41) TLR8TGFBR1RETRIPK1RIPK3
SCHEMBL25521410 0.76 RAF1 (0.41) TLR8RAF1BRAF
SCHEMBL25522432 0.76 NR4A2 (0.45) TLR8TGFBR1RIPK2EGFR

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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