SCHEMBL20284231

SCHEMBL20284231

CNC(=O)COc1cc2cc(Nc3nc(N4C[C@@H](C)C[C@@H](F)C4)ncc3Cl)ccc2n(C)c1=O

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 20/20 0.90
▸ MELK Q14680 1/20 0.90
▸ NCOR2 Q9Y618 6/20 0.80
▸ CHRM4 P08173 1/20 0.52
▸ BCL6B Q8N143 1/20 0.52
▸ ADRB3 P13945 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL20284221 0.96 BCL6 (0.84) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL21787646 0.96 BCL6 (0.84) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL21774734 0.95 BCL6 (1.00) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL22421741 0.95 BCL6 (1.00) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL20284531 0.95 BCL6 (1.00) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL20267381 0.95 BCL6 (1.00) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL20284059 0.95 BCL6 (1.00) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL21774726 0.95 BCL6 (1.00) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL29508785 0.95 BCL6 (1.00) BCL6MELKNCOR2CHRM4BCL6B
SCHEMBL20284563 0.91 BCL6 (0.88) BCL6MELKNCOR2CHRM4BCL6B

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-2018108704-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 — — WO disclosed
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