SCHEMBL21946901

SCHEMBL21946901

CC(C)(C)OC(=O)CCCN1CCN(c2ccc3c(c2)C(O)N(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 8/20 0.42
▸ DDB1 Q16531 3/20 0.41
▸ ESR1 P03372 1/20 0.38
▸ PTK2 Q05397 7/20 0.37
▸ RAF1 P04049 2/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ IRAK1 P51617 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ IRAK3 Q9Y616 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ AR P10275 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL24669827 0.86 CRBN (0.60) CRBNDDB1PTK2RAF1CCNC
SCHEMBL22951135 0.85 CRBN (0.48) CRBNDDB1ESR1RAF1CCNC
SCHEMBL24299447 0.84 CRBN (0.55) CRBNDDB1
SCHEMBL24734974 0.84 CRBN (0.51) CRBNDDB1ESR1
SCHEMBL24735226 0.84 CRBN (0.59) CRBNDDB1PTK2RAF1CCNC
SCHEMBL29223778 0.84 CRBN (0.43) CRBNDDB1ESR1EGFRAR
SCHEMBL29841470 0.84 CRBN (0.59) CRBNDDB1PTK2RAF1CCNC
SCHEMBL24735577 0.83 CRBN (0.58) CRBNDDB1PTK2RAF1CCNC
SCHEMBL21982914 0.83 CRBN (0.48) CRBNDDB1ESR1AR
SCHEMBL23705525 0.83 CRBN (0.62) CRBNDDB1RAF1CCNCCDK8

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 — — WO disclosed
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