SCHEMBL30901450

SCHEMBL30901450

COc1nc(-c2cccc(-c3cccc(-c4cnc(C5=NCC(F)(F)CN5)c(OC)n4)c3Cl)c2Cl)cnc1C1=NCC(F)(F)CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 1.00
▸ PDCD1 Q15116 19/20 1.00
▸ PDCD1LG2 Q9BQ51 1/20 0.47

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
SCHEMBL21290688 1.00 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL26318688 0.88 CD274 (0.79) CD274PDCD1PDCD1LG2
SCHEMBL21290644 0.84 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290731 0.81 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290640 0.78 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL26318795 0.76 PDCD1 (0.83) CD274PDCD1
SCHEMBL26331505 0.75 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290645 0.75 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290795 0.75 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21291130 0.74 CD274 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084940-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-05-28 — — CN disclosed
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