SCHEMBL30625548

SCHEMBL30625548

Cn1cnnc1C1(c2cccc(NC(=O)c3ccc4c(n3)C(C)(C)CN4)c2)CC(CC#N)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 19/20 0.57
▸ CBLC Q9ULV8 2/20 0.57
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL30625500 1.00 CBLB (0.57) CBLBCBLCBACE1
SCHEMBL25349001 1.00 CBLB (0.57) CBLBCBLCBACE1
SCHEMBL25361470 0.89 CBLB (0.63) CBLBCBLC
SCHEMBL30625664 0.87 CBLB (0.55) CBLBCBLCBACE1
SCHEMBL30540494 0.87 CBLB (0.54) CBLBCBLC
SCHEMBL25364967 0.87 CBLB (0.54) CBLBCBLCBACE1
SCHEMBL30625624 0.87 CBLB (0.54) CBLBCBLC
SCHEMBL30625570 0.87 CBLB (0.54) CBLBCBLCBACE1
SCHEMBL30625498 0.87 CBLB (0.54) CBLBCBLCBACE1
SCHEMBL30625522 0.86 CBLB (0.59) CBLBCBLC

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
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