SCHEMBL2544355

SCHEMBL2544355

Cc1sc2c(c1C)C(c1ccc(Nc3cccnc3)cc1)=N[C@@H](C(C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.68
NAMPT P43490 5/20 0.51
BRDT Q58F21 5/20 0.47
BRD2 P25440 2/20 0.47
BRD3 Q15059 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
TSPO P30536 1/20 0.47

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
SCHEMBL2544362 1.00 BRD4 (0.68) BRD4NAMPTBRDTBRD2BRD3
SCHEMBL2544138 0.93 BRD4 (0.69) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2536627 0.93 BRD4 (0.69) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2537890 0.90 BRD4 (0.70) BRD4NAMPTBRDTBRD2BRD3
SCHEMBL2537895 0.90 BRD4 (0.70) BRD4NAMPTBRDTBRD2BRD3
SCHEMBL2538991 0.89 BRD4 (0.61) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2538987 0.89 BRD4 (0.61) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2538524 0.88 BRD4 (0.61) BRD4NAMPTBRDTBRD2BRD3
SCHEMBL2538518 0.88 BRD4 (0.61) BRD4NAMPTBRDTBRD2BRD3
SCHEMBL2542313 0.88 BRD4 (0.61) BRD4BRDTBRD2BRD3ADORA3

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