SCHEMBL24818854

SCHEMBL24818854

Cn1cnnc1-c1ccccc1-c1cccc(-c2nc3cc(CN[C@@H]4CCC[C@H]4O)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 6/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ S1PR1 P21453 5/20 0.35
▸ S1PR3 Q99500 5/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ TRPV3 Q8NET8 5/20 0.34
▸ CBLB Q13191 2/20 0.34
▸ VSIR Q9H7M9 2/20 0.33

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
SCHEMBL24819898 1.00 CD274 (0.36) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL30153167 1.00 CD274 (0.36) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL30153129 1.00 CD274 (0.36) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL24819897 1.00 CD274 (0.36) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL30152725 1.00 CD274 (0.36) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL24818891 0.93 VSIR (0.35) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL24818917 0.93 VSIR (0.35) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL24820761 0.93 VSIR (0.35) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL24818680 0.93 VSIR (0.35) CD274PDCD1LG2S1PR1S1PR3PDCD1
SCHEMBL24818981 0.93 CBLB (0.34) CD274PDCD1LG2S1PR1S1PR3PDCD1

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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