SCHEMBL29227451

SCHEMBL29227451

O=C(O)CN1CCC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.59
▸ GSPT1 P15170 2/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ IKZF2 Q9UKS7 4/20 0.46
▸ IKZF1 Q13422 1/20 0.46
▸ MAP1LC3B Q9GZQ8 1/20 0.45

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
SCHEMBL30822343 1.00 CRBN (0.59) CRBNGSPT1CSNK1A1IKZF2IKZF1
SCHEMBL27208265 0.88 CRBN (0.54) CRBNGSPT1IKZF2IKZF1
SCHEMBL30139705 0.88 CRBN (0.54) CRBNGSPT1IKZF2IKZF1
SCHEMBL24123455 0.84 CRBN (0.55) CRBNIKZF2
SCHEMBL27090524 0.83 CRBN (0.66) CRBNGSPT1CSNK1A1
SCHEMBL27208467 0.83 CRBN (0.66) CRBN
SCHEMBL30822397 0.83 CRBN (0.66) CRBN
SCHEMBL30007020 0.83 CRBN (0.66) CRBNGSPT1CSNK1A1
SCHEMBL29369888 0.82 CRBN (0.67) CRBN
SCHEMBL22291530 0.82 CRBN (0.67) CRBN

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
CN-117836299-A Novel bifunctional heterocyclic compounds with Bruton tyrosine kinase decomposition via ubiquitin proteasome pathway and uses thereof 韩国化学研究院 2024-04-05 — — CN disclosed
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