SCHEMBL30625534

SCHEMBL30625534

Cn1cnnc1C1(c2cccc(NC(=O)c3cc(CNCc4ccccc4)c4c(n3)C(C)(C)CC4)c2)CC(CC#N)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 19/20 0.51
▸ CBLC Q9ULV8 3/20 0.51
▸ BACE1 P56817 1/20 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
SCHEMBL31578157 0.91 CBLB (0.52) CBLBCBLC
SCHEMBL30625551 0.91 CBLB (0.53) CBLBCBLC
SCHEMBL31578360 0.91 CBLB (0.53) CBLBCBLC
SCHEMBL31578297 0.90 CBLB (0.52) CBLBCBLCBACE1
SCHEMBL30540653 0.90 CBLB (0.54) CBLBCBLC
SCHEMBL30540470 0.90 CBLB (0.54) CBLBCBLC
SCHEMBL31578164 0.89 CBLB (0.52) CBLBCBLC
SCHEMBL31578096 0.89 CBLB (0.51) CBLBCBLC
SCHEMBL30625549 0.89 CBLB (0.49) CBLBCBLC
SCHEMBL30625464 0.89 CBLB (0.51) CBLBCBLCBACE1

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-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
Send feedback