SCHEMBL2543540

SCHEMBL2543540

Cc1c(Cl)sc2c1C(c1ccc(-c3cccc(C#N)c3)cc1)=N[C@@H](C(C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.57
BRDT Q58F21 11/20 0.47
DNER Q8NFT8 1/20 0.42

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
SCHEMBL2542061 0.92 BRD4 (0.68) BRD4BRDTDNER
SCHEMBL2534246 0.91 BRD4 (0.57) BRD4BRDT
SCHEMBL2536525 0.89 BRD4 (0.60) BRD4BRDT
SCHEMBL2540750 0.89 BRD4 (0.58) BRD4BRDT
SCHEMBL2536449 0.87 BRD4 (0.60) BRD4BRDT
SCHEMBL2540727 0.86 BRD4 (0.52) BRD4BRDT
SCHEMBL2541423 0.86 BRD4 (0.56) BRD4BRDT
SCHEMBL3215449 0.85 BRD4 (0.71) BRD4BRDTDNER
SCHEMBL2544011 0.84 BRD4 (0.66) BRD4BRDTDNER
SCHEMBL2545078 0.83 BRD4 (0.70) 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
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed