SCHEMBL24031989

SCHEMBL24031989

CC(C)(C)OC(=O)c1ccc(N2CCC(CN3Cc4cc5c(cc4C3)C(O)N(C3CCC(=O)NC3=O)C5=O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.40
▸ AR P10275 4/20 0.40
▸ ESR1 P03372 3/20 0.40
▸ DDB1 Q16531 4/20 0.38
▸ IKZF2 Q9UKS7 2/20 0.36
▸ BRD9 Q9H8M2 1/20 0.35
▸ IKZF3 Q9UKT9 2/20 0.35
▸ BTK Q06187 1/20 0.35
▸ IKZF1 Q13422 1/20 0.35

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
SCHEMBL23051639 0.89 CRBN (0.49) CRBNARESR1DDB1BRD9
SCHEMBL20046709 0.87 CRBN (0.43) CRBNARESR1DDB1IKZF3
SCHEMBL20046716 0.87 CRBN (0.41) CRBNARESR1DDB1IKZF3
SCHEMBL20076137 0.81 CRBN (0.46) CRBNARESR1DDB1IKZF2
SCHEMBL20046362 0.80 CRBN (0.59) CRBNARESR1IKZF2IKZF1
SCHEMBL21477174 0.79 CRBN (0.58) CRBNARESR1DDB1BTK
SCHEMBL25502269 0.79 CRBN (0.43) CRBNARDDB1IKZF3BTK
SCHEMBL22692241 0.77 CRBN (0.43) CRBNARESR1DDB1IKZF2
SCHEMBL23051651 0.77 CRBN (0.50) CRBNARDDB1IKZF3
SCHEMBL20046406 0.77 CRBN (0.56) CRBNARESR1DDB1IKZF3

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-2021231927-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-18 — — WO disclosed
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