SCHEMBL29190016

SCHEMBL29190016

COCCNCc1cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc2c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 13/20 0.39
▸ PDCD1 Q15116 9/20 0.39
▸ VSIR Q9H7M9 9/20 0.36
▸ PDCD1LG2 Q9BQ51 3/20 0.33
▸ TYMS P04818 1/20 0.30

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
SCHEMBL29190051 0.89 CD274 (0.32) CD274PDCD1VSIRPDCD1LG2
SCHEMBL29190068 0.88 CD274 (0.36) CD274PDCD1VSIR
SCHEMBL29190012 0.88 VSIR (0.39) CD274PDCD1VSIR
SCHEMBL29190002 0.88 VSIR (0.39) CD274PDCD1VSIR
SCHEMBL29189911 0.86 VSIR (0.38) CD274PDCD1VSIR
SCHEMBL29189980 0.86 VSIR (0.34) CD274PDCD1VSIRPDCD1LG2
SCHEMBL29190034 0.85 VSIR (0.34) CD274PDCD1VSIR
SCHEMBL29190110 0.85 IDO1 (0.36) CD274PDCD1VSIR
SCHEMBL29189992 0.85 VSIR (0.37) CD274PDCD1VSIR
SCHEMBL29189934 0.84 VSIR (0.38) CD274PDCD1VSIR

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-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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