SCHEMBL25430899

SCHEMBL25430899

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 10/20 0.38
▸ GRM5 P41594 9/20 0.38
▸ CDK9 P50750 4/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL31208006 1.00 GRM1 (0.38) GRM1GRM5CDK9TLR7CCNT1
SCHEMBL25432061 0.87 SQOR (0.32) CDK9CCNT1
SCHEMBL25431963 0.84 GRM1 (0.43) GRM1GRM5CDK9CCNT1
SCHEMBL31208020 0.84 GRM1 (0.43) GRM1GRM5CDK9CCNT1
SCHEMBL25431429 0.76 PIK3CD (0.43) CDK9CCNT1GPR119
SCHEMBL31208015 0.76 PIK3CD (0.43) CDK9CCNT1GPR119
SCHEMBL29899495 0.74 GRM1 (0.43) GRM1GRM5CDK9CCNT1
SCHEMBL21003095 0.74 GRM1 (0.47) GRM1GRM5CDK9CCNT1GPR119
SCHEMBL25432299 0.74 CYP11B2 (0.40) GRM1GRM5PDE10A
SCHEMBL31208023 0.74 CYP11B2 (0.40) GRM1GRM5PDE10A

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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