SCHEMBL30392608

SCHEMBL30392608

O=C1CCN(c2cc(C(=O)N3CCNCC3)ccc2Cl)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ MAPK14 Q16539 3/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ PARP1 P09874 2/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL30392371 0.93 PKM (0.44) HPGDMAPK14SIGMAR1RXFP1PKM
SCHEMBL30014379 0.90 GABRD (0.51) —
SCHEMBL25596266 0.90 GABRD (0.51) —
SCHEMBL30020819 0.89 HPGD (0.55) HPGDPKMMEN1KMT2ANPBWR1
Hydrochloric Acid SCHEMBL30864123 0.89 GABRD (0.50) —
SCHEMBL28978059 0.88 HPGD (0.44) HPGDPKMMEN1KMT2ANPBWR1
SCHEMBL23121762 0.87 MGLL (0.38) —
SCHEMBL30009715 0.87 MGLL (0.38) —
SCHEMBL26100334 0.86 NAMPT (0.41) HPGDPKMKMT2ACRBN
SCHEMBL31255494 0.86 TPSAB1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431366-A IRAK4 degradation agent compound and application thereof 江苏先声药业有限公司 2025-02-14 — — CN disclosed
CN-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 — — CN disclosed
EP-4423086-A1 TYK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-09-04 — — EP disclosed
CN-117917410-A Pan-KRAS degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 — — WO 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
Send feedback