SCHEMBL25349207

SCHEMBL25349207

Cc1cnc2c(C(=O)Nc3cccc([C@]4(c5nncn5C)C[C@@H](CC#N)C4)c3)cc(CN3CCC[C@H](C)C3)cn12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 16/20 0.68
▸ CBLC Q9ULV8 2/20 0.68
▸ PCSK9 Q8NBP7 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CBL P22681 2/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL31115359 1.00 CBLB (0.68) CBLBCBLCPCSK9AURKAAURKB
SCHEMBL25347645 0.94 CBLB (0.69) CBLBCBLCCBL
SCHEMBL31115322 0.94 CBLB (0.69) CBLBCBLCCBL
SCHEMBL25348439 0.94 CBLB (0.68) CBLBCBLCPCSK9CBL
SCHEMBL30521621 0.91 CBLB (0.64) CBLBCBLCCBLPDCD1CD274
SCHEMBL25349020 0.89 CBLB (0.86) CBLBCBLCPCSK9CBLPDCD1
SCHEMBL31578236 0.89 CBLB (0.86) CBLBCBLCPCSK9CBLPDCD1
SCHEMBL31578390 0.87 CBLB (0.72) CBLBCBLCPCSK9CBLPDCD1
SCHEMBL25349525 0.86 CBLB (0.59) CBLBCBLCCBL
SCHEMBL31115347 0.86 CBLB (0.59) CBLBCBLCCBL

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-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
Send feedback