SCHEMBL30625487

SCHEMBL30625487

C[C@@H]1C[C@H](C)CN(Cc2cc(C(=O)Nc3cccc(C4(c5nncn5C)CC(CC#N)C4)c3)nc3c2OCC3(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 19/20 0.54
▸ CBLC Q9ULV8 3/20 0.54
▸ KMT2A Q03164 1/20 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
SCHEMBL30540561 0.93 CBLB (0.60) CBLBCBLC
SCHEMBL25361782 0.93 CBLB (0.60) CBLBCBLC
SCHEMBL30625435 0.90 CBLB (0.52) CBLBCBLC
SCHEMBL30625482 0.90 CBLB (0.52) CBLBCBLC
SCHEMBL30625550 0.90 CBLB (0.52) CBLBCBLC
SCHEMBL30625546 0.89 CBLB (0.51) CBLBCBLC
SCHEMBL30625418 0.89 CBLB (0.51) CBLBCBLC
SCHEMBL30625486 0.89 CBLB (0.55) CBLBCBLCKMT2A
SCHEMBL25360361 0.88 CBLB (0.51) CBLBCBLC
SCHEMBL30625422 0.88 CBLB (0.55) 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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