SCHEMBL20155005

SCHEMBL20155005

CCS(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(C2=CN(C)C(=O)/C(=C/NC)C2=N)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.54
BRDT Q58F21 1/20 0.41
PLA2G7 Q13093 1/20 0.38

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
SCHEMBL20155475 0.88 BRD4 (0.41) BRD4PLA2G7
SCHEMBL20155097 0.86 BRD4 (0.37) BRD4PLA2G7
SCHEMBL20155443 0.82 BRD4 (0.54) BRD4BRDT
SCHEMBL20155144 0.72 BRD4 (0.35) BRD4
SCHEMBL15540578 0.70 BRD4 (1.00) BRD4
SCHEMBL20155445 0.69 BRD4 (0.39) BRD4BRDT
SCHEMBL15069312 0.68 BRD4 (1.00) BRD4BRDT
SCHEMBL29745692 0.68 BRD4 (1.00) BRD4BRDT
SCHEMBL20155030 0.68 SCN9A (0.34)
SCHEMBL20155693 0.68 BRD4 (0.36) BRD4BRDT

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-2018086604-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