SCHEMBL20155394

SCHEMBL20155394

CN/C=C1\C(=N)C(c2cc(SC)ccc2Oc2ccc(F)cc2F)=CN(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL20155291 0.87 BRD4 (0.42) BRD4BRD2BRD3BRDTMAPK14
SCHEMBL20155445 0.84 BRD4 (0.39) BRD4BRD2BRD3BRDT
SCHEMBL20155443 0.82 BRD4 (0.54) BRD4BRD2BRD3BRDT
SCHEMBL20155038 0.80 BRD4 (0.42) BRD4BRD2BRD3BRDTMAPK14
SCHEMBL20155515 0.79 BRD4 (0.43) BRD4MAPK14
SCHEMBL20155692 0.78 SLC6A2 (0.34) BRD4
SCHEMBL20155007 0.78 SLC6A2 (0.35) BRD4
SCHEMBL20155068 0.78 BRD4 (0.41) BRD4BRD2BRD3BRDTMAPK14
SCHEMBL20155531 0.78 BRD4 (0.41) BRD4MAPK14
SCHEMBL20155690 0.76 BRD4 (0.38) BRD4BRD2BRD3BRDT

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