SCHEMBL2543152

SCHEMBL2543152

Cc1c(CO)sc2c1C(c1ccc(Nc3ccccc3)cc1)=N[C@@H](C(C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.58
BRDT Q58F21 6/20 0.46
BRD2 P25440 1/20 0.45

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
SCHEMBL2543156 1.00 BRD4 (0.58) BRD4BRDTBRD2
SCHEMBL2538956 0.93 BRD4 (0.60) BRD4BRDT
SCHEMBL2538951 0.93 BRD4 (0.60) BRD4BRDT
SCHEMBL2537126 0.91 BRD4 (0.59) BRD4BRDTBRD2
SCHEMBL2537129 0.91 BRD4 (0.59) BRD4BRDTBRD2
SCHEMBL2536627 0.90 BRD4 (0.69) BRD4BRDTBRD2
SCHEMBL2544138 0.90 BRD4 (0.69) BRD4BRDTBRD2
SCHEMBL2541097 0.89 BRD4 (0.72) BRD4BRDT
SCHEMBL2541102 0.89 BRD4 (0.72) BRD4BRDT
SCHEMBL2541090 0.89 BRD4 (0.57) 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