SCHEMBL30582634

SCHEMBL30582634

COc1ccc(-c2c(C3CCC4(CC3)CC(NC(=O)OC(C)(C)C)C4)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 7/20 0.46
▸ SRC P12931 6/20 0.45
▸ PDE2A O00408 1/20 0.43
▸ RET P07949 2/20 0.40
▸ KDR P35968 3/20 0.39
▸ ABL1 P00519 5/20 0.39
▸ EGFR P00533 3/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ ABL2 P42684 2/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ TEK Q02763 1/20 0.38
▸ BTK Q06187 1/20 0.38

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
SCHEMBL26109562 0.90 RIPK2 (0.47) RIPK2SRCKDRABL1EGFR
SCHEMBL26104736 0.87 BTK (0.49) RIPK2SRCRETABL1EGFR
SCHEMBL30582611 0.87 BTK (0.49) RIPK2SRCRETABL1EGFR
SCHEMBL30582631 0.83 PDE2A (0.43) RIPK2SRCPDE2ARETKDR
SCHEMBL26107090 0.83 RIPK2 (0.49) RIPK2SRCKDRABL1EGFR
SCHEMBL30582549 0.83 RIPK2 (0.49) RIPK2SRCKDRABL1EGFR
SCHEMBL26587463 0.74 RET (0.41) RETKDREGFRBTK
SCHEMBL26109460 0.72 RIPK2 (0.43) RIPK2SRCRETABL1EGFR
SCHEMBL30582582 0.71 SRC (0.43) SRCRETKDRABL1EGFR
SCHEMBL26105238 0.71 SRC (0.43) SRCRETKDRABL1EGFR

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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