SCHEMBL30582549

SCHEMBL30582549

COc1ccc(-c2c(C3CCC4(CC3)CC(N)C4)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 8/20 0.49
▸ SRC P12931 6/20 0.46
▸ ABL1 P00519 3/20 0.46
▸ EGFR P00533 3/20 0.46
▸ ABL2 P42684 2/20 0.46
▸ KDR P35968 7/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ TEK Q02763 5/20 0.40
▸ LCK P06239 4/20 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
SCHEMBL26107090 1.00 RIPK2 (0.49) RIPK2SRCABL1EGFRABL2
SCHEMBL26109562 0.86 RIPK2 (0.47) RIPK2SRCABL1EGFRABL2
SCHEMBL30582611 0.83 BTK (0.49) RIPK2SRCABL1EGFRHCK
SCHEMBL26104736 0.83 BTK (0.49) RIPK2SRCABL1EGFRHCK
SCHEMBL30582634 0.83 RIPK2 (0.46) RIPK2SRCABL1EGFRABL2
SCHEMBL26108141 0.79 RIPK2 (0.45) RIPK2SRCABL1EGFRABL2
SCHEMBL30582623 0.79 RIPK2 (0.45) RIPK2SRCABL1EGFRABL2
SCHEMBL26109125 0.77 LCK (0.44) SRCABL1EGFRKDRHCK
SCHEMBL22675996 0.73 SRC (0.53) RIPK2SRCABL1EGFRABL2
SCHEMBL30582591 0.73 LCK (0.42) SRCABL1EGFRKDRHCK

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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