SCHEMBL30582623

SCHEMBL30582623

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 6/20 0.45
▸ SRC P12931 6/20 0.42
▸ ABL1 P00519 3/20 0.42
▸ EGFR P00533 3/20 0.42
▸ ABL2 P42684 2/20 0.42
▸ KDR P35968 7/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ TEK Q02763 5/20 0.38
▸ MAP2K5 Q13163 1/20 0.37
▸ LCK P06239 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL26108141 1.00 RIPK2 (0.45) RIPK2SRCABL1EGFRABL2
SCHEMBL26108493 0.89 LCK (0.39) SRCEGFRKDRTEKLCK
SCHEMBL30582551 0.89 LCK (0.39) SRCEGFRKDRTEKLCK
SCHEMBL30582544 0.88 SRC (0.44) RIPK2SRCABL1EGFRABL2
SCHEMBL26108026 0.88 SRC (0.44) RIPK2SRCABL1EGFRABL2
SCHEMBL26109460 0.87 RIPK2 (0.43) RIPK2SRCABL1EGFRABL2
SCHEMBL26109362 0.84 BTK (0.48) RIPK2SRCABL1EGFRHCK
SCHEMBL30582530 0.84 BTK (0.48) RIPK2SRCABL1EGFRHCK
SCHEMBL30582631 0.83 PDE2A (0.43) RIPK2SRCABL1EGFRKDR
SCHEMBL26108002 0.81 SRC (0.37) RIPK2SRCABL1EGFRABL2

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-4499616-A1 SPIROBICYCLIC COMPOUNDS Acerand Therapeutics (Hong Kong) Limited (HK) 2025-02-05 — — EP disclosed
CN-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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