SCHEMBL2537895

SCHEMBL2537895

CC[C@H](C(=O)O)C1N=C(c2ccc(Nc3cccnc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.70
NAMPT P43490 6/20 0.51
BRD2 P25440 3/20 0.47
BRD3 Q15059 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
TSPO P30536 1/20 0.47
BRDT Q58F21 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
SCHEMBL2537890 1.00 BRD4 (0.70) BRD4NAMPTBRD2BRD3ADORA3
SCHEMBL2543089 0.91 BRD4 (0.57) BRD4NAMPTBRD2BRD3ADORA3
SCHEMBL2543087 0.91 BRD4 (0.57) BRD4NAMPTBRD2BRD3ADORA3
SCHEMBL2544362 0.90 BRD4 (0.68) BRD4NAMPTBRD2BRD3ADORA3
SCHEMBL2544355 0.90 BRD4 (0.68) BRD4NAMPTBRD2BRD3ADORA3
SCHEMBL2543935 0.90 BRD4 (0.60) BRD4NAMPTBRD2BRD3BRDT
SCHEMBL2543934 0.90 BRD4 (0.60) BRD4NAMPTBRD2BRD3BRDT
SCHEMBL2539555 0.88 BRD4 (0.56) BRD4NAMPTBRD2BRD3BRDT
SCHEMBL2539552 0.88 BRD4 (0.56) BRD4NAMPTBRD2BRD3BRDT
SCHEMBL2542399 0.88 BRD4 (0.59) BRD4BRD2BRD3ADORA3TSPO

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