SCHEMBL2537191

SCHEMBL2537191

Cc1sc2c(c1C)C(c1ccc(-c3cccc(C#N)n3)cc1)=NC([C@H](C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.51
BRDT Q58F21 10/20 0.51
DNER Q8NFT8 1/20 0.46

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
SCHEMBL2537187 1.00 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2539706 0.90 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2539703 0.90 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2537732 0.90 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2537723 0.90 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2538155 0.87 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2540741 0.87 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2538161 0.87 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2540737 0.87 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2535981 0.86 BRD4 (0.51) BRD4BRDTDNER

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
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed