SCHEMBL28535858

SCHEMBL28535858

CC(C)(C)OC(=O)N1CC(C#Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.54
▸ DDB1 Q16531 15/20 0.54
▸ ALDH1A1 P00352 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ IKZF3 Q9UKT9 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 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
SCHEMBL28638453 0.94 CRBN (0.51) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30738814 0.92 CRBN (0.53) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL27178948 0.92 CRBN (0.53) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29058492 0.88 CRBN (0.55) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21759799 0.87 CRBN (0.53) CRBNDDB1IKZF3
SCHEMBL30741724 0.87 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31748857 0.87 CRBN (0.53) CRBNDDB1IKZF3
SCHEMBL24186804 0.85 CRBN (0.53) CRBNDDB1
SCHEMBL30741698 0.85 CRBN (0.53) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30741738 0.85 CRBN (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010858-B BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-07-18 — — CN disclosed
CN-113527260-A Compound capable of degrading STAT3 enzyme, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-10-22 — — CN disclosed
CN-112390785-A BET family bromodomain inhibitor ring derivative, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-02-23 — — CN disclosed
CN-112010858-A BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2020-12-01 — — CN disclosed
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