SCHEMBL25431963

SCHEMBL25431963

COc1nc(C2=CCN(C(=O)OC(C)(C)C)C2)cc2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 7/20 0.43
▸ GRM5 P41594 6/20 0.43
▸ CDK9 P50750 9/20 0.40
▸ CCNT1 O60563 6/20 0.40
▸ PDK4 Q16654 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL31208020 1.00 GRM1 (0.43) GRM1GRM5CDK9CCNT1PDK4
SCHEMBL31208006 0.84 GRM1 (0.38) GRM1GRM5CDK9CCNT1
SCHEMBL25430899 0.84 GRM1 (0.38) GRM1GRM5CDK9CCNT1
SCHEMBL25362816 0.77 GRM1 (0.41) GRM1GRM5PDK4
SCHEMBL30496081 0.77 GRM1 (0.41) GRM1GRM5PDK4
SCHEMBL29899495 0.76 GRM1 (0.43) GRM1GRM5CDK9CCNT1PDK4
SCHEMBL25432299 0.76 CYP11B2 (0.40) GRM1GRM5PDK4JAK1
SCHEMBL31208023 0.76 CYP11B2 (0.40) GRM1GRM5PDK4JAK1
SCHEMBL25430422 0.75 PDE4B (0.46) CDK9CCNT1
SCHEMBL31208008 0.75 PDE4B (0.46) CDK9CCNT1

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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