SCHEMBL30194071

SCHEMBL30194071

Cn1cc2c(=O)n(C)cc(-c3cn4c(S(C)(=O)=O)cnc4cc3Oc3ccc(F)cc3F)c2n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.57

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
SCHEMBL30194256 0.93 BRD4 (0.57) BRD4
SCHEMBL20155392 0.83 BRD4 (0.74) BRD4
SCHEMBL30194103 0.82 BRD4 (0.70) BRD4
SCHEMBL20155122 0.79 BRD4 (0.51) BRD4
SCHEMBL20155121 0.77 BRD4 (0.57) BRD4
SCHEMBL30194143 0.76 BRD4 (0.70) BRD4
SCHEMBL30194083 0.75 BRD4 (0.50) BRD4
SCHEMBL30194247 0.75 BRD4 (0.44) BRD4
SCHEMBL28510566 0.74 BRD4 (0.49) BRD4
SCHEMBL30194084 0.74 BRD4 (0.49) BRD4

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-112300154-B Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2023-01-24 CN disclosed