SCHEMBL25431429

SCHEMBL25431429

COc1nc(C2CCN(C(=O)OC(C)(C)C)C2)cc2ncc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ TRPV3 Q8NET8 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ ALOX5AP P20292 3/20 0.42
▸ FEN1 P39748 3/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL31208015 1.00 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGTRPV3
SCHEMBL25430422 0.85 PDE4B (0.46) TRPV3PDE4BALOX5APFEN1HPGDS
SCHEMBL31208008 0.85 PDE4B (0.46) TRPV3PDE4BALOX5APFEN1HPGDS
SCHEMBL19404832 0.76 TRPV3 (0.52) TRPV3PDE4BALOX5APFEN1HPGDS
SCHEMBL25430899 0.76 GRM1 (0.38) CCNT1CDK9GPR119
SCHEMBL31208006 0.76 GRM1 (0.38) CCNT1CDK9GPR119
SCHEMBL19404833 0.75 SMN1; SMN2 (0.50) TRPV3PDE4BHPGDSKDM4EGPR119
SCHEMBL25432160 0.75 PDE4B (0.46) PIK3CDTRPV3PDE4BHPGDSKDM4E
SCHEMBL31208014 0.75 PDE4B (0.46) PIK3CDTRPV3PDE4BHPGDSKDM4E
SCHEMBL4744810 0.75 PDPK1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4674841-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2026-01-07 — — EP disclosed
EP-4444305-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-10-16 — — EP disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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