SCHEMBL30985039

SCHEMBL30985039

O=C1CCC(N2C(=O)c3ccc(N4CCC5(CCC(CN6CCN(c7ccc([N+](=O)[O-])cc7)CC6)C5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.58
▸ DDB1 Q16531 7/20 0.58
▸ AR P10275 4/20 0.46
▸ ALK Q9UM73 1/20 0.45
▸ CDK9 P50750 1/20 0.44
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ IKZF3 Q9UKT9 1/20 0.42
▸ BTK Q06187 1/20 0.41

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
SCHEMBL30985141 0.95 CRBN (0.59) CRBNDDB1ARALKCDK9
SCHEMBL30984808 0.95 CRBN (0.59) CRBNDDB1ARALKCDK9
SCHEMBL30984972 0.90 CRBN (0.60) CRBNDDB1ARALKCDK9
SCHEMBL30984709 0.90 CRBN (0.59) CRBNDDB1ARALKCDK9
SCHEMBL30984670 0.87 CRBN (0.59) CRBNDDB1ARIRAK1IRAK4
SCHEMBL30984882 0.85 CRBN (0.61) CRBNDDB1ARIRAK1IRAK4
SCHEMBL30984742 0.85 CRBN (0.61) CRBNDDB1ARALKCDK9
SCHEMBL30984807 0.84 CRBN (0.58) CRBNDDB1ARCDK9IRAK1
SCHEMBL30984679 0.83 CRBN (0.58) CRBNDDB1ARCDK9IRAK1
SCHEMBL30984986 0.83 CRBN (0.62) CRBNDDB1ARIKZF3

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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