SCHEMBL28978035

SCHEMBL28978035

O=C1CCC(c2cc(C(=O)N3CCNCC3)ccc2F)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 8/20 0.44
▸ CRBN Q96SW2 8/20 0.44
▸ SIGMAR1 Q99720 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ BCL9 O00512 1/20 0.37
▸ CTNNB1 P35222 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
SCHEMBL25920180 0.82 PRKAG1 (0.41) DDB1CRBNHSD11B1MEN1KMT2A
SCHEMBL31232873 0.81 CRBN (0.52) DDB1CRBNSIGMAR1HPGDL3MBTL3
SCHEMBL25240043 0.81 CRBN (0.49) DDB1CRBN
SCHEMBL30158164 0.81 CRBN (0.49) DDB1CRBN
SCHEMBL31678103 0.80 DDB1 (0.53) DDB1CRBNSIGMAR1
Trifluoroacetic Acid SCHEMBL31630953 0.77 CRBN (0.46) DDB1CRBNSIGMAR1
SCHEMBL24778021 0.76 GABRD (0.48) L3MBTL3L3MBTL1
SCHEMBL24778022 0.75 NR3C1 (0.41) HSD11B1MEN1KMT2ABCL9CTNNB1
SCHEMBL31236426 0.74 DDB1 (0.62) DDB1CRBNHPGDPARP1
SCHEMBL25249148 0.74 CRBN (0.42) DDB1CRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 — — EP disclosed
CN-115710274-A IRAK4 degradation agent, preparation method and application thereof 上海领泰生物医药科技有限公司 2023-02-24 — — CN disclosed
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