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Sugi Predict / Compounds / SCHEMBL31108217

SCHEMBL31108217

SCHEMBL31108217

Cc1c(NC(=O)c2ccc(C=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CN(C[C@@H]3CCC(=O)N3)C(=O)OC(C)(C)C)cn2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.46
▸ PDCD1 Q15116 17/20 0.46
▸ PDCD1LG2 Q9BQ51 1/20 0.38

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
SCHEMBL29984262 0.91 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL22675479 0.88 CD274 (0.48) CD274PDCD1
SCHEMBL31108317 0.85 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL29983814 0.84 CD274 (0.41) CD274PDCD1
SCHEMBL30836685 0.83 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL31095936 0.82 CD274 (0.43) CD274PDCD1
SCHEMBL29984177 0.81 CD274 (0.40) CD274PDCD1PDCD1LG2
SCHEMBL30836600 0.81 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL24109571 0.81 CD274 (0.41) CD274PDCD1
SCHEMBL27080908 0.81 CD274 (0.49) CD274PDCD1PDCD1LG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4694981-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS Aurigene Oncology Limited (IN) 2026-02-18 — — EP disclosed
WO-2024214088-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS AURIGENE ONCOLOGY LIMITED (IN) 2024-10-17 — — WO disclosed
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