SCHEMBL20155002

SCHEMBL20155002

Cn1cc2c(=O)n(C)cc(-c3cc(N)ccc3Oc3ccc(C#N)cc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.49
SCN9A Q15858 2/20 0.37

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
SCHEMBL20155478 0.88 BRD4 (0.43) BRD4
SCHEMBL20155360 0.87 BRD4 (0.49) BRD4
SCHEMBL20155095 0.83 BRD4 (0.58) BRD4
SCHEMBL20155001 0.82 BRD4 (0.70) BRD4
SCHEMBL20155476 0.82 BRD4 (0.43) BRD4
SCHEMBL20155028 0.82 BRD4 (0.41) BRD4SCN9A
SCHEMBL20155420 0.81 BRD4 (0.42) BRD4
SCHEMBL15069639 0.79 BRD4 (0.78) BRD4
SCHEMBL20155554 0.78 BRD4 (0.42) BRD4
SCHEMBL20155411 0.77 BRD4 (0.47) 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-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