SCHEMBL30984972

SCHEMBL30984972

O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC6(CC5)CCN(c5ccc([N+](=O)[O-])cc5)CC6)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.60
▸ DDB1 Q16531 5/20 0.60
▸ AR P10275 4/20 0.51
▸ CDK9 P50750 1/20 0.46
▸ ITK Q08881 1/20 0.45
▸ BTK Q06187 3/20 0.45
▸ PLK4 O00444 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ IRAK1 P51617 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ IRAK3 Q9Y616 1/20 0.43

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 0.94 CRBN (0.59) CRBNDDB1ARCDK9ITK
SCHEMBL30984807 0.93 CRBN (0.58) CRBNDDB1ARCDK9ITK
SCHEMBL30984808 0.91 CRBN (0.59) CRBNDDB1ARCDK9ITK
SCHEMBL30985039 0.90 CRBN (0.58) CRBNDDB1ARCDK9ITK
SCHEMBL30984978 0.89 CRBN (0.62) CRBNDDB1ARCDK9ITK
SCHEMBL30984679 0.89 CRBN (0.58) CRBNDDB1ARCDK9BTK
SCHEMBL30984986 0.88 CRBN (0.62) CRBNDDB1AR
SCHEMBL30985007 0.88 CRBN (0.62) CRBNDDB1AR
SCHEMBL30984874 0.86 CRBN (0.56) CRBNDDB1
SCHEMBL24481028 0.86 CRBN (0.65) CRBNDDB1ARBTKALK

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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