SCHEMBL2539261

SCHEMBL2539261

CCC(C(=O)O)[C@@H]1N=C(c2ccc(-c3cncc(C(C)=O)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.50
DNER Q8NFT8 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
TSPO P30536 1/20 0.46
BRD2 P25440 1/20 0.46
BRDT Q58F21 6/20 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
SCHEMBL2539267 1.00 BRD4 (0.50) BRD4DNERADORA3TSPOBRD2
SCHEMBL2537240 0.94 BRD4 (0.50) BRD4DNERADORA3TSPOBRD2
SCHEMBL2537235 0.94 BRD4 (0.50) BRD4DNERADORA3TSPOBRD2
SCHEMBL2536545 0.91 BRD4 (0.50) BRD4DNERADORA3TSPOBRD2
SCHEMBL2536550 0.91 BRD4 (0.50) BRD4DNERADORA3TSPOBRD2
SCHEMBL2541446 0.90 BRD4 (0.52) BRD4DNERADORA3TSPOBRD2
SCHEMBL2542796 0.89 BRD4 (0.54) BRD4DNERADORA3TSPOBRD2
SCHEMBL2542808 0.89 BRD4 (0.54) BRD4DNERADORA3TSPOBRD2
SCHEMBL2538831 0.89 BRD4 (0.50) BRD4DNERADORA3TSPOBRD2
SCHEMBL2538837 0.89 BRD4 (0.50) BRD4DNERADORA3TSPOBRD2

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