SCHEMBL25036968

SCHEMBL25036968

CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)n(C2CC2)c(=O)n3C2CCC(=O)NC2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 12/20 0.45
▸ CRBN Q96SW2 12/20 0.45
▸ CDK7 P50613 1/20 0.42
▸ CDK13 Q14004 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ PDK4 Q16654 1/20 0.40
▸ JAK1 P23458 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL30273817 1.00 DDB1 (0.45) DDB1CRBNCDK7CDK13CDK12
SCHEMBL22836102 0.91 DDB1 (0.48) DDB1CRBNCDK7CDK13CDK12
SCHEMBL31160909 0.91 DDB1 (0.48) DDB1CRBNCDK7CDK13CDK12
SCHEMBL30273425 0.90 DDB1 (0.45) DDB1CRBNCDK7CDK13CDK12
SCHEMBL23541145 0.89 CDK7 (0.44) DDB1CRBNCDK7CDK13CDK12
SCHEMBL25036367 0.89 DDB1 (0.44) DDB1CRBNCDK7CDK13CDK12
SCHEMBL30273873 0.89 DDB1 (0.44) DDB1CRBNCDK7CDK13CDK12
SCHEMBL30274020 0.87 DDB1 (0.42) DDB1CRBNCDK7CDK13CDK12
SCHEMBL30273802 0.86 DDB1 (0.46) DDB1CRBNCDK7CDK13CDK12
SCHEMBL23541275 0.84 DDB1 (0.45) DDB1CRBNCDK7CDK13CDK12

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-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 — — WO disclosed
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