SCHEMBL30617436

SCHEMBL30617436

CCOc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(OCC)n4)c3Cl)c2Cl)ccc1C1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 1.00
▸ PDCD1LG2 Q9BQ51 15/20 1.00
▸ PDCD1 Q15116 5/20 0.66

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
SCHEMBL21507056 1.00 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21507291 0.87 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21506839 0.83 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL27081077 0.82 CD274 (0.85) CD274PDCD1LG2PDCD1
SCHEMBL21506881 0.81 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL31622017 0.81 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21497025 0.81 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21291129 0.80 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21507087 0.78 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21274576 0.78 CD274 (0.76) CD274PDCD1LG2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041311-B PD-1/PD-L1 inhibitors 吉利德科学公司 2023-10-03 — — CN disclosed
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