SCHEMBL24820542

SCHEMBL24820542

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN[C@@H]4CCC[C@@H]4O)c(F)cc3o2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 12/20 0.36
▸ PDCD1 Q15116 6/20 0.36
▸ PDCD1LG2 Q9BQ51 3/20 0.34
▸ OPRK1 P41145 3/20 0.33
▸ VSIR Q9H7M9 7/20 0.33
▸ MAP3K5 Q99683 3/20 0.32

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
SCHEMBL30152887 1.00 CD274 (0.36) CD274PDCD1PDCD1LG2OPRK1VSIR
SCHEMBL24818855 0.89 VSIR (0.36) CD274PDCD1PDCD1LG2VSIR
SCHEMBL30152852 0.89 VSIR (0.36) CD274PDCD1PDCD1LG2VSIR
SCHEMBL30153011 0.89 VSIR (0.38) CD274PDCD1PDCD1LG2VSIR
SCHEMBL24818800 0.89 VSIR (0.38) CD274PDCD1PDCD1LG2VSIR
SCHEMBL24820085 0.89 CD274 (0.36) CD274PDCD1PDCD1LG2OPRK1VSIR
SCHEMBL30152926 0.89 CD274 (0.36) CD274PDCD1PDCD1LG2OPRK1VSIR
SCHEMBL24820267 0.86 VSIR (0.37) CD274PDCD1PDCD1LG2OPRK1VSIR
SCHEMBL30152910 0.86 VSIR (0.37) CD274PDCD1PDCD1LG2OPRK1VSIR
SCHEMBL24820306 0.85 TRPV3 (0.34) CD274PDCD1PDCD1LG2OPRK1MAP3K5

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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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