SCHEMBL31323392

SCHEMBL31323392

CC(C)(C)OC(=O)N1CC=C(c2ccc3c(C4CCC(=O)NC4=O)noc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 9/20 0.48
▸ CRBN Q96SW2 9/20 0.48
▸ CDK7 P50613 1/20 0.43
▸ CDK13 Q14004 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ SOS1 Q07889 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ GRM1 Q13255 1/20 0.38

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
SCHEMBL25447032 0.84 DDB1 (0.66) DDB1CRBNCDK7CDK13CDK12
SCHEMBL31323414 0.82 PDK4 (0.49) DDB1CRBNJAK1CNR1PDK4
SCHEMBL31323401 0.82 DDB1 (0.56) DDB1CRBNNAMPT
SCHEMBL24671227 0.82 DDB1 (0.61) DDB1CRBNCDK7CDK13CDK12
SCHEMBL27167732 0.81 NAMPT (0.43) CDK7CDK13CDK12BRD4JAK1
SCHEMBL30631086 0.80 DDB1 (0.59) DDB1CRBNCDK7CDK13CDK12
SCHEMBL27089927 0.80 DDB1 (0.59) DDB1CRBNCDK7CDK13CDK12
SCHEMBL26633418 0.80 DDB1 (0.59) DDB1CRBNCDK7CDK13CDK12
SCHEMBL25604143 0.79 DDB1 (0.62) DDB1CRBNBRD4
SCHEMBL31323782 0.78 DDB1 (0.52) DDB1CRBNNAMPT

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
EP-4735452-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS PROTEIN Merck Patent GmbH (DE) 2026-05-06 — — EP disclosed
EP-4735438-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS Merck Patent GmbH (DE) 2026-05-06 — — EP disclosed
WO-2025006783-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS MERCK PATENT GMBH (DE) 2025-01-02 — — WO disclosed
WO-2025006753-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS PROTEIN MERCK PATENT GMBH (DE) 2025-01-02 — — WO disclosed
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