SCHEMBL30577593

SCHEMBL30577593

C[C@@H]1C[C@H](C)CN(Cc2cc(C(=O)Nc3cccc(C4(c5nncn5C)CC(CC#N)C4)c3)nc3cn[nH]c23)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 19/20 0.61
▸ CBLC Q9ULV8 3/20 0.61
▸ CBL P22681 7/20 0.34
▸ 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
SCHEMBL30540441 0.93 CBLB (0.67) CBLBCBLCCBL
SCHEMBL30577618 0.91 CBLB (0.70) CBLBCBLCCBLKMT2A
SCHEMBL25352987 0.88 CBLB (0.57) CBLBCBLCCBLKMT2A
SCHEMBL30577585 0.87 CBLB (0.59) CBLBCBLCCBL
SCHEMBL30540638 0.84 CBLB (0.78) CBLBCBLCCBL
SCHEMBL30625524 0.84 CBLB (0.56) CBLBCBLCCBLKMT2A
SCHEMBL30540632 0.84 CBLB (0.67) CBLBCBLCCBL
SCHEMBL30625486 0.84 CBLB (0.55) CBLBCBLCCBLKMT2A
SCHEMBL30577674 0.84 CBLB (0.72) CBLBCBLCCBL
SCHEMBL30577689 0.83 CBLB (0.70) 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-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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