SCHEMBL20160026

SCHEMBL20160026

Cc1nnc2c(C(N)=O)cc(-c3cc(N)ccc3Oc3ccc(F)cc3F)nn12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.42
SCN4A P35499 1/20 0.38
MAPK14 Q16539 3/20 0.35
CARM1 Q86X55 1/20 0.32

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
SCHEMBL20160229 0.86 BRD4 (0.44) BRD4SCN4AMAPK14
SCHEMBL20160028 0.84 BRD4 (0.47) BRD4
SCHEMBL20159846 0.84 BRD4 (0.51) BRD4
SCHEMBL20159844 0.83 BRD4 (0.42) BRD4
SCHEMBL20160050 0.83 BRD4 (0.46) BRD4MAPK14
SCHEMBL20160251 0.82 BRD4 (0.41) BRD4
SCHEMBL20159918 0.82 BRPF1 (0.53) BRD4
SCHEMBL20160306 0.81 BRD4 (0.41) BRD4MAPK14
SCHEMBL20159867 0.81 BRD9 (0.56) BRD4
SCHEMBL20159916 0.81 BRD9 (0.41) 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