SCHEMBL26106734

SCHEMBL26106734

Cn1c(C2=CCC3(CC2)CNC3)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 12/20 0.38
▸ TEK Q02763 11/20 0.38
▸ KDR P35968 10/20 0.38
▸ NUDT14 O95848 1/20 0.37
▸ NUDT5 Q9UKK9 1/20 0.37
▸ BTK Q06187 7/20 0.36
▸ SRC P12931 3/20 0.36
▸ BLK P51451 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ RET P07949 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TEC P42680 1/20 0.35
▸ TXK P42681 1/20 0.35
▸ BMX P51813 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35

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
SCHEMBL26109653 0.94 LCK (0.39) LCKTEKKDRNUDT14NUDT5
SCHEMBL26107050 0.92 LCK (0.40) LCKTEKKDRNUDT14NUDT5
SCHEMBL30582551 0.92 LCK (0.39) LCKTEKKDRNUDT14NUDT5
SCHEMBL26108493 0.92 LCK (0.39) LCKTEKKDRNUDT14NUDT5
SCHEMBL26108768 0.85 BTK (0.36) LCKTEKKDRNUDT14NUDT5
SCHEMBL26587204 0.84 CYP3A4 (0.40) BTKBLKEGFRERBB2RET
SCHEMBL26587174 0.84 BTK (0.47) BTKBLKEGFRERBB2RET
SCHEMBL26107236 0.84 BTK (0.43) LCKTEKKDRBTKBLK
SCHEMBL26109060 0.84 BTK (0.35) LCKTEKKDRNUDT14NUDT5
SCHEMBL30582573 0.84 SRC (0.40) LCKTEKKDRBTKSRC

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 5 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-2024091370-A1 5,6-FUSED BICYCLIC HETEROAROMATIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2024-05-02 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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