SCHEMBL30985029

SCHEMBL30985029

O=C1CCC(N2Cc3ccc(N4CCC(CN5CC[C@@H](N6CCN(c7ccc([N+](=O)[O-])cc7)CC6)[C@@H](F)C5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ IKZF2 Q9UKS7 3/20 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
SCHEMBL30984752 1.00 CRBN (0.45) CRBNESR1IKZF2
SCHEMBL30985175 0.91 CRBN (0.52) CRBNESR1IKZF2
SCHEMBL30984758 0.91 CRBN (0.52) CRBNESR1IKZF2
SCHEMBL30984949 0.88 CRBN (0.55) CRBNESR1IKZF2
SCHEMBL30985054 0.82 CRBN (0.62) CRBNESR1IKZF2
SCHEMBL24421242 0.80 CRBN (0.52) CRBNESR1IKZF2
SCHEMBL30984741 0.79 CRBN (0.48) CRBNIKZF2
SCHEMBL30984874 0.78 CRBN (0.56) CRBNESR1IKZF2
SCHEMBL30984672 0.78 CRBN (0.47) CRBNIKZF2
SCHEMBL30984701 0.78 CRBN (0.63) CRBNESR1IKZF2

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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