SCHEMBL23267991

SCHEMBL23267991

CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCC6(CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)C5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 7/20 0.47
▸ NCOR2 Q9Y618 4/20 0.47
▸ MELK Q14680 1/20 0.46
▸ BTK Q06187 2/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ EGFR P00533 5/20 0.42
▸ ERBB3 P21860 1/20 0.42
▸ ALK Q9UM73 2/20 0.42
▸ ERBB2 P04626 1/20 0.41
▸ CRBN Q96SW2 4/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ BCL6B Q8N143 1/20 0.40
▸ AR P10275 3/20 0.39

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
SCHEMBL31595433 1.00 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL31595554 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL30894231 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL31595550 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL24717907 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL23268215 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL23267737 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL23267372 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL31595365 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2
SCHEMBL31595505 0.98 BCL6 (0.47) BCL6NCOR2MELKBTKPTK2

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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