SCHEMBL30582647

SCHEMBL30582647

Cn1c(C2=CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(-c2ccc(OC(F)F)cc2)c2c(N)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.41
▸ EGFR P00533 3/20 0.38
▸ ABL1 P00519 2/20 0.36
▸ ABL2 P42684 2/20 0.36
▸ TGFBR1 P36897 2/20 0.36
▸ RET P07949 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ BTK Q06187 2/20 0.35
▸ ADK P55263 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34

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
SCHEMBL26108267 1.00 SRC (0.41) SRCEGFRABL1ABL2TGFBR1
SCHEMBL30582555 0.91 SRC (0.50) SRCEGFRABL1ABL2TGFBR1
SCHEMBL26108116 0.91 SRC (0.50) SRCEGFRABL1ABL2TGFBR1
SCHEMBL30582636 0.90 HDAC2 (0.44) SRCEGFRABL1ABL2TGFBR1
SCHEMBL26108808 0.90 HDAC2 (0.44) SRCEGFRABL1ABL2TGFBR1
SCHEMBL30582600 0.88 SRC (0.44) SRCEGFRABL1ABL2TGFBR1
SCHEMBL26104706 0.88 SRC (0.44) SRCEGFRABL1ABL2TGFBR1
SCHEMBL30582586 0.88 SRC (0.41) SRCEGFRABL1ABL2TGFBR1
SCHEMBL26108691 0.88 SRC (0.41) SRCEGFRABL1ABL2TGFBR1
SCHEMBL26587704 0.88 FGFR4 (0.44) EGFRBTK

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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