SCHEMBL20160028

SCHEMBL20160028

CCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C(N)=O)c3nnc(C)n3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 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
SCHEMBL20159846 0.88 BRD4 (0.51) BRD4
SCHEMBL20159844 0.87 BRD4 (0.42) BRD4
SCHEMBL20160026 0.84 BRD4 (0.42) BRD4
SCHEMBL20159872 0.76 BRD4 (0.51) BRD4
SCHEMBL20160053 0.75 BRD4 (0.53) BRD4
SCHEMBL20159918 0.74 BRPF1 (0.53) BRD4
SCHEMBL20160106 0.74 BRPF1 (0.39) BRD4
SCHEMBL20160107 0.74 BRD4 (0.48) BRD4
SCHEMBL30886397 0.74 BRD4 (0.48) BRD4
SCHEMBL20160261 0.73 BRD4 (0.58) 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
WO-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed