SCHEMBL30582500

SCHEMBL30582500

C=CC(=O)N1CC2(CC(c3c(-c4ccc(Oc5ncccn5)cc4)c4c(N)ncnc4n3C)C2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.55
▸ KCNH2 Q12809 1/20 0.54
▸ EGFR P00533 2/20 0.44
▸ BLK P51451 2/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ TEC P42680 1/20 0.43
▸ TXK P42681 1/20 0.43
▸ BMX P51813 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ ERBB4 Q15303 1/20 0.43

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
SCHEMBL22676631 0.88 BTK (0.53) BTKKCNH2EGFRBLKERBB2
SCHEMBL30582627 0.87 BTK (0.49) BTKKCNH2EGFRBLKERBB2
SCHEMBL30582582 0.87 SRC (0.43) BTKKCNH2EGFRRET
SCHEMBL26105238 0.87 SRC (0.43) BTKKCNH2EGFRRET
SCHEMBL22676199 0.87 BTK (0.53) BTKKCNH2EGFRBLKERBB2
SCHEMBL22673416 0.87 BTK (0.53) BTKKCNH2EGFRBLKERBB2
SCHEMBL22659060 0.87 BTK (0.53) BTKKCNH2EGFRBLKERBB2
SCHEMBL26113306 0.83 BTK (0.40) BTKKCNH2EGFRBLKERBB2
SCHEMBL30582591 0.83 LCK (0.42) BTKEGFRBLKERBB2RET
SCHEMBL26108281 0.83 LCK (0.42) BTKEGFRBLKERBB2RET

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 6 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 claimed
CN-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN claimed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO claimed
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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