SCHEMBL29106918

SCHEMBL29106918

O=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCCCBr)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.69
▸ DDB1 Q16531 11/20 0.54
▸ ALDH1A1 P00352 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ IKZF3 Q9UKT9 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ BRD9 Q9H8M2 1/20 0.50
▸ HPGDS O60760 1/20 0.47
▸ EGFR P00533 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
SCHEMBL31620768 1.00 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31547314 0.90 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31622233 0.90 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23173959 0.90 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31628404 0.89 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31547274 0.89 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1
Hydrochloric Acid SCHEMBL31491158 0.89 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24207009 0.88 CRBN (0.71) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31297121 0.88 CRBN (0.71) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23860665 0.88 CRBN (0.71) CRBNDDB1ALDH1A1CHRM2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4501327-A2 SUBSTITUTED PYRROLOPYRIMIDINE AND PYRAZOLOPYRIMIDINE AS BRUTON S TYROSINEKINASE (BTK) DEGRADERS Accutar Biotechnology Inc. (US) 2025-02-05 — — EP disclosed
EP-4039688-B1 SUBSTITUTED PYRROLOPYRIMIDINE AND PYRAZOLOPYRIMIDINE AS BRUTON'S TYROSINE KINASE (BTK) DEGRADERS ACCUTAR BIOTECHNOLOGY INC (US) 2024-10-09 — — EP disclosed
CN-117042769-A Substituted pyrrolopyrimidines and pyrazolopyrimidines as Bruton's Tyrosine Kinase (BTK) degrading agents 冰洲石生物科技公司 2023-11-10 — — CN disclosed
WO-2022169798-A2 SUBSTITUTED PYRROLOPYRIMIDINE AND PYRAZOLOPYRIMIDINE AS BRUTON'S TYROSINE KINASE (BTK) DEGRADERS ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 — — WO disclosed
EP-4039688-A2 SUBSTITUTED PYRROLOPYRIMIDINE AND PYRAZOLOPYRIMIDINE AS BRUTON'S TYROSINE KINASE (BTK) DEGRADERS Accutar Biotechnology Inc. (US) 2022-08-10 — — EP disclosed
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