SCHEMBL30582631

SCHEMBL30582631

COc1ccc(-c2c(C3=CCC4(CC3)CC(NC(=O)OC(C)(C)C)C4)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.43
▸ RIPK2 O43353 7/20 0.42
▸ SRC P12931 3/20 0.42
▸ RET P07949 2/20 0.39
▸ BTK Q06187 5/20 0.38
▸ KDR P35968 2/20 0.38
▸ ABL1 P00519 3/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ PTK6 Q13882 1/20 0.36

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
SCHEMBL26587463 0.91 RET (0.41) RETBTKKDREGFR
SCHEMBL26109460 0.90 RIPK2 (0.43) RIPK2SRCRETBTKABL1
SCHEMBL30582530 0.87 BTK (0.48) RIPK2SRCRETBTKABL1
SCHEMBL26109362 0.87 BTK (0.48) RIPK2SRCRETBTKABL1
SCHEMBL30582555 0.84 SRC (0.50) RIPK2SRCRETBTKKDR
SCHEMBL26108116 0.84 SRC (0.50) RIPK2SRCRETBTKKDR
SCHEMBL26108141 0.83 RIPK2 (0.45) RIPK2SRCKDRABL1PIK3CD
SCHEMBL30582623 0.83 RIPK2 (0.45) RIPK2SRCKDRABL1PIK3CD
SCHEMBL30582634 0.83 RIPK2 (0.46) PDE2ARIPK2SRCRETBTK
SCHEMBL26107236 0.81 BTK (0.43) RETBTKKDREGFR

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-4499616-A1 SPIROBICYCLIC COMPOUNDS Acerand Therapeutics (Hong Kong) Limited (HK) 2025-02-05 — — EP disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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