SCHEMBL28670098

SCHEMBL28670098

COc1ccc(Nc2nc(N3C[C@@H](C)N[C@@H](C)C3)ncc2F)cc1NC(=O)c1sccc1Br

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 19/20 0.73
▸ NCOR2 Q9Y618 2/20 0.61
▸ BRAF P15056 1/20 0.43

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
SCHEMBL28675447 0.87 BCL6 (0.76) BCL6NCOR2BRAF
SCHEMBL28663573 0.86 BCL6 (0.74) BCL6NCOR2BRAF
SCHEMBL28677026 0.85 BCL6 (0.75) BCL6NCOR2
SCHEMBL28677146 0.84 BCL6 (0.62) BCL6NCOR2BRAF
SCHEMBL28670224 0.84 BCL6 (0.78) BCL6NCOR2BRAF
SCHEMBL28929985 0.83 BCL6 (0.65) BCL6NCOR2BRAF
SCHEMBL28930000 0.83 BCL6 (0.75) BCL6NCOR2
SCHEMBL28665296 0.83 BCL6 (0.72) BCL6NCOR2BRAF
SCHEMBL28676975 0.81 BCL6 (0.69) BCL6NCOR2BRAF
SCHEMBL28659500 0.80 BCL6 (0.65) BCL6NCOR2BRAF

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
CN-108976172-B 4-pyrimidinediamine micromolecule organic compound and derivative and application thereof 华东师范大学 2021-12-07 — — CN claimed
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