SCHEMBL30718688

SCHEMBL30718688

Brc1ccc2nc(N3C[C@@H]4C5CCC(O5)[C@@H]4C3)ncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.38
▸ HCRTR2 O43614 2/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ PDE10A Q9Y233 6/20 0.36
▸ TLR4 O00206 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL27144904 1.00 HCRTR1 (0.38) HCRTR1HCRTR2HTR3APDE10ATLR4
SCHEMBL31413368 0.84 MTOR (0.40) HCRTR1HCRTR2HTR3APDE10ATLR4
SCHEMBL27145054 0.84 MTOR (0.40) HCRTR1HCRTR2HTR3APDE10ATLR4
SCHEMBL27144025 0.83 HTR3A (0.40) HCRTR1HCRTR2HTR3APDE10AHRH4
SCHEMBL31413461 0.83 HTR3A (0.40) HCRTR1HCRTR2HTR3APDE10AHRH4
SCHEMBL30718776 0.81 HTR3A (0.38) HCRTR1HCRTR2HTR3APDE10ATLR4
SCHEMBL27138967 0.81 TLR4 (0.36) HCRTR1HCRTR2HTR3APDE10ATLR4
SCHEMBL27138608 0.81 HTR3A (0.38) HCRTR1HCRTR2HTR3APDE10ATLR4
SCHEMBL31413439 0.79 HCRTR2 (0.46) HCRTR1HCRTR2HTR3APDE10AHRH4
SCHEMBL27152248 0.79 HCRTR2 (0.46) HCRTR1HCRTR2HTR3APDE10AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 — — EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 — — WO disclosed
Send feedback