SCHEMBL24424311

SCHEMBL24424311

COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCc4ncc(F)cc4C)CC34CC4)n[nH]2)c(F)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ TBK1 Q9UHD2 2/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CRBN Q96SW2 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL29584737 1.00 CHEK1 (0.33) CHEK1FFAR4TLR9TLR8TLR7
SCHEMBL25090908 0.95 CHEK1 (0.33) CHEK1FFAR4TLR9TLR8TLR7
SCHEMBL24424426 0.94 CHEK1 (0.33) CHEK1FFAR4TLR9TLR8TLR7
SCHEMBL29583183 0.93 CHEK1 (0.33) CHEK1FFAR4TBK1KDM5AEGLN1
SCHEMBL29583159 0.93 CHEK1 (0.35) CHEK1FFAR4TBK1KDM5AKCNH2
SCHEMBL24424325 0.93 CHEK1 (0.33) CHEK1FFAR4TBK1KDM5AEGLN1
SCHEMBL25090941 0.93 CHEK1 (0.35) CHEK1FFAR4TBK1KDM5AKCNH2
SCHEMBL29583623 0.91 EPHX2 (0.32) CHEK1FFAR4TBK1KDM5A
SCHEMBL24424280 0.91 EPHX2 (0.32) CHEK1FFAR4TBK1KDM5A
SCHEMBL24423280 0.91 CHEK1 (0.32) CHEK1FFAR4TLR9TLR8TLR7

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-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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