SCHEMBL28929663

SCHEMBL28929663

COc1ccc(Nc2nc(N3C[C@@H](C)N[C@@H](C)C3)ncc2F)cc1Nc1cncc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 19/20 0.68
▸ NCOR2 Q9Y618 2/20 0.68
▸ ROCK2 O75116 1/20 0.44

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
SCHEMBL28656470 0.87 BCL6 (0.69) BCL6NCOR2ROCK2
SCHEMBL28656702 0.87 BCL6 (0.68) BCL6NCOR2ROCK2
SCHEMBL28663576 0.86 BCL6 (0.68) BCL6NCOR2ROCK2
SCHEMBL28679338 0.82 BCL6 (0.76) BCL6NCOR2ROCK2
SCHEMBL28661657 0.81 BCL6 (0.79) BCL6NCOR2ROCK2
SCHEMBL28670224 0.81 BCL6 (0.78) BCL6NCOR2
SCHEMBL28675447 0.80 BCL6 (0.76) BCL6NCOR2
SCHEMBL28671690 0.80 BCL6 (0.76) BCL6NCOR2ROCK2
SCHEMBL28677026 0.80 BCL6 (0.75) BCL6NCOR2
SCHEMBL28661662 0.78 BCL6 (0.73) BCL6NCOR2ROCK2

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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