SCHEMBL29681788

SCHEMBL29681788

O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(C(=O)O)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.65
▸ AR P10275 3/20 0.58
▸ BTK Q06187 2/20 0.51
▸ HPGDS O60760 2/20 0.50
▸ DDB1 Q16531 8/20 0.49
▸ CDK9 P50750 1/20 0.48
▸ ITK Q08881 1/20 0.48
▸ IRAK1 P51617 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ IRAK3 Q9Y616 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ IKZF3 Q9UKT9 1/20 0.47

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
SCHEMBL24206867 1.00 CRBN (0.65) CRBNARBTKHPGDSDDB1
SCHEMBL31055547 0.95 CRBN (0.60) CRBNARBTKHPGDSDDB1
SCHEMBL24671174 0.95 CRBN (0.60) CRBNARBTKHPGDSDDB1
SCHEMBL22326213 0.92 CRBN (0.77) CRBNHPGDSDDB1ALDH1A1CHRM2
SCHEMBL26929077 0.91 CRBN (0.65) CRBNARBTKDDB1CDK9
SCHEMBL30692989 0.91 CRBN (0.65) CRBNARBTKDDB1CDK9
SCHEMBL26969669 0.90 CRBN (0.69) CRBNARBTKDDB1CDK9
SCHEMBL27176460 0.89 CRBN (0.65) CRBNARBTKDDB1CDK9
SCHEMBL31447732 0.89 CRBN (0.80) CRBNARBTKDDB1CDK9
SCHEMBL29927704 0.88 CRBN (0.59) CRBNARBTKHPGDSDDB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146660-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF Nurix Therapeutics, Inc. (US) 2023-03-15 — — EP disclosed
WO-2022143856-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-07-07 — — WO disclosed
WO-2022068849-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEIGENE, LTD. (KY) 2022-04-07 — — WO disclosed
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