SCHEMBL24613605

SCHEMBL24613605

COc1cc(-c2cccc(-c3cccc(-c4cnc(C5=NCCN5)c(OC)c4)c3Cl)c2Cl)cnc1CNCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.44
▸ PDCD1 Q15116 15/20 0.44
▸ PDCD1LG2 Q9BQ51 5/20 0.40

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
SCHEMBL23949648 0.86 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL23949063 0.81 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL26318915 0.70 PDCD1 (0.73) CD274PDCD1
SCHEMBL27079746 0.63 CD274 (0.53) CD274PDCD1PDCD1LG2
SCHEMBL29982523 0.63 CD274 (0.53) CD274PDCD1PDCD1LG2
SCHEMBL21290731 0.62 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21291130 0.62 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL27078983 0.61 PDCD1 (0.52) CD274PDCD1
SCHEMBL29983446 0.61 PDCD1 (0.52) CD274PDCD1
SCHEMBL24613309 0.61 CD274 (0.64) CD274PDCD1

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
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 — — EP disclosed
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