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Sugi Predict / Compounds / SCHEMBL23268209

SCHEMBL23268209

SCHEMBL23268209

CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCC6(C5)CN(c5cccc7c5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)ncc3Cl)ccc2n(C(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 5/20 0.44
▸ NCOR2 Q9Y618 4/20 0.44
▸ MELK Q14680 1/20 0.43
▸ ALK Q9UM73 7/20 0.41
▸ PTK2 Q05397 7/20 0.41
▸ CRBN Q96SW2 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40

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
SCHEMBL31595228 1.00 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL31595271 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL31595335 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL23268207 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL31595482 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL23267736 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL23267738 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL31595234 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL31595499 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2
SCHEMBL31595256 0.98 BCL6 (0.44) BCL6NCOR2MELKALKPTK2

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-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 — — WO disclosed
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