SCHEMBL2545356

SCHEMBL2545356

CNc1ccc(C2=N[C@@H](C(C)C(=O)O)c3nnc(C)n3-c3sc(C)c(C)c32)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.58
ADORA3 P0DMS8 1/20 0.52
TSPO P30536 1/20 0.52
BRDT Q58F21 7/20 0.52
BRD2 P25440 2/20 0.52
BRD3 Q15059 1/20 0.52
DNER Q8NFT8 1/20 0.51

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
SCHEMBL2545361 1.00 BRD4 (0.58) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2544138 0.92 BRD4 (0.69) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2538987 0.92 BRD4 (0.61) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2536627 0.92 BRD4 (0.69) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2538991 0.92 BRD4 (0.61) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2541366 0.90 BRD4 (0.60) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2541368 0.90 BRD4 (0.60) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL23320673 0.89 BRD4 (0.56) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2541813 0.89 BRD4 (0.69) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2541816 0.89 BRD4 (0.69) BRD4ADORA3TSPOBRDTBRD2

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