SCHEMBL2539552

SCHEMBL2539552

CCC(C(=O)O)[C@@H]1N=C(c2ccc(NCCc3cccnc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.56
NAMPT P43490 10/20 0.49
BRD2 P25440 2/20 0.47
BRDT Q58F21 3/20 0.46
BRD3 Q15059 1/20 0.46

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
SCHEMBL2539555 1.00 BRD4 (0.56) BRD4NAMPTBRD2BRDTBRD3
SCHEMBL2543935 0.93 BRD4 (0.60) BRD4NAMPTBRD2BRDTBRD3
SCHEMBL2543934 0.93 BRD4 (0.60) BRD4NAMPTBRD2BRDTBRD3
SCHEMBL2535976 0.93 BRD4 (0.59) BRD4BRD2BRDTBRD3
SCHEMBL2540552 0.88 BRD4 (0.54) BRD4BRD2BRDTBRD3
SCHEMBL2540549 0.88 BRD4 (0.54) BRD4BRD2BRDTBRD3
SCHEMBL2538525 0.88 BRD4 (0.57) BRD4BRD2BRDTBRD3
SCHEMBL2536530 0.88 BRD4 (0.57) BRD4BRD2BRDTBRD3
SCHEMBL2537895 0.88 BRD4 (0.70) BRD4NAMPTBRD2BRDTBRD3
SCHEMBL2537890 0.88 BRD4 (0.70) BRD4NAMPTBRD2BRDTBRD3

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