SCHEMBL30961867

SCHEMBL30961867

CC(C)(C)OC(=O)N1CCCC(c2ccc3c(c2)c2ncnc(O)c2n3CC(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.42
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ FEN1 P39748 3/20 0.38
▸ ALOX5AP P20292 2/20 0.38
▸ HPGDS O60760 2/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ PIK3CD O00329 3/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL30961888 0.87 PDE4B (0.39) PDE4BPRMT5SCN9A
SCHEMBL30961755 0.84 SLC6A2 (0.37) —
SCHEMBL30961764 0.84 SLC6A2 (0.37) —
SCHEMBL30961836 0.84 SLC6A2 (0.37) —
SCHEMBL30961868 0.81 QDPR (0.41) PARP1TLR9TLR8TLR7
SCHEMBL30127359 0.79 PDE4B (0.48) PDE4BJAK2JAK1PRMT5FEN1
SCHEMBL30961829 0.78 HTR2A (0.37) —
SCHEMBL30961874 0.78 DGAT2 (0.34) PIK3CD
SCHEMBL30126000 0.76 PDE4B (0.53) PDE4BHPGDSPIK3CDCCNKCDK12
SCHEMBL30125994 0.72 PDE4B (0.47) PDE4BJAK2JAK1PRMT5HPGDS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4633739-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS Flare Therapeutics, Inc. (US) 2025-10-22 — — EP disclosed
WO-2024129715-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2024-06-20 — — WO disclosed
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