SCHEMBL30394665

SCHEMBL30394665

Cc1c(OCCCNCc2ccncc2)cccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.59
PDCD1 Q15116 15/20 0.59
VSIR Q9H7M9 12/20 0.59

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
SCHEMBL19897882 1.00 CD274 (0.59) CD274PDCD1VSIR
SCHEMBL19897881 1.00 CD274 (0.59) CD274PDCD1VSIR
SCHEMBL29615156 0.92 CD274 (0.52) CD274PDCD1VSIR
SCHEMBL19897517 0.92 CD274 (0.52) CD274PDCD1VSIR
SCHEMBL19897516 0.92 CD274 (0.52) CD274PDCD1VSIR
SCHEMBL19897912 0.90 PDCD1 (0.60) CD274PDCD1VSIR
SCHEMBL30394805 0.90 PDCD1 (0.60) CD274PDCD1VSIR
SCHEMBL19897915 0.90 PDCD1 (0.60) CD274PDCD1VSIR
SCHEMBL19897693 0.86 CD274 (0.54) CD274PDCD1VSIR
SCHEMBL19897696 0.86 CD274 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 CN claimed
CN-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 CN disclosed