SCHEMBL30612355

SCHEMBL30612355

COc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CRBN Q96SW2 2/20 0.45
▸ NR3C1 P04150 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 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
SCHEMBL24735228 1.00 MEN1 (0.51) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL30158207 0.97 CRBN (0.47) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL24735127 0.97 CRBN (0.47) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL29190407 0.94 CRBN (0.45) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL30148829 0.92 CRBN (0.42) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL21409182 0.89 KMT2A (0.50) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL25941790 0.89 CRBN (0.47) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL30009045 0.89 PDE4B (0.47) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL21409304 0.89 PDE4B (0.47) MEN1KMT2ACRBNNR3C1PGR
SCHEMBL30278930 0.88 PDE4A (0.45) MEN1KMT2ACRBNNR3C1PGR

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-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
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