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Sugi Predict / Compounds / SCHEMBL30985127

SCHEMBL30985127

SCHEMBL30985127

O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(C(F)(F)CN6CCN(c7ccc([N+](=O)[O-])cc7)CC6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 11/20 0.54
▸ DDB1 Q16531 3/20 0.54
▸ AR P10275 4/20 0.49
▸ CDK9 P50750 1/20 0.45
▸ PLK4 O00444 2/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ BTK Q06187 2/20 0.42
▸ ALK Q9UM73 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 0.42

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
SCHEMBL29927387 0.88 CRBN (0.57) CRBNDDB1ARCDK9PLK4
SCHEMBL23860128 0.88 CRBN (0.57) CRBNDDB1ARCDK9PLK4
SCHEMBL30984679 0.86 CRBN (0.58) CRBNDDB1ARCDK9PLK4
SCHEMBL30984972 0.85 CRBN (0.60) CRBNDDB1ARCDK9PLK4
SCHEMBL30985141 0.84 CRBN (0.59) CRBNDDB1ARCDK9PLK4
SCHEMBL30984808 0.83 CRBN (0.59) CRBNDDB1ARCDK9PLK4
SCHEMBL23117907 0.82 CRBN (0.57) CRBNDDB1ARCDK9PLK4
SCHEMBL29822127 0.82 CRBN (0.57) CRBNDDB1ARCDK9PLK4
SCHEMBL23860158 0.82 CRBN (0.49) CRBNDDB1ARCDK9ESR1
SCHEMBL31619119 0.82 CRBN (0.49) CRBNDDB1ARCDK9ESR1

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 — — WO disclosed
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