SCHEMBL25362075

SCHEMBL25362075

Cn1cnnc1[C@]1(c2cccc(NC(=O)c3cc(CNC[C@H]4CCCO4)c4c(n3)C(C)(C)CN4)c2)C[C@H](CC#N)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 17/20 0.50
▸ CBLC Q9ULV8 2/20 0.50
▸ ROCK2 O75116 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL25361224 1.00 CBLB (0.50) CBLBCBLCROCK2MEN1KMT2A
SCHEMBL31578333 0.92 CBLB (0.54) CBLBCBLC
SCHEMBL25358920 0.92 CBLB (0.51) CBLBCBLC
SCHEMBL25364967 0.90 CBLB (0.54) CBLBCBLC
SCHEMBL30625498 0.90 CBLB (0.54) CBLBCBLC
SCHEMBL30625447 0.89 CBLB (0.52) CBLBCBLC
SCHEMBL25360132 0.89 CBLB (0.52) CBLBCBLC
SCHEMBL25360838 0.88 CBLB (0.52) CBLBCBLC
SCHEMBL31578212 0.88 CBLB (0.52) CBLBCBLC
SCHEMBL25358672 0.88 CBLB (0.52) 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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