SCHEMBL2544138

SCHEMBL2544138

Cc1sc2c(c1C)C(c1ccc(Nc3ccccc3)cc1)=NC([C@H](C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.69
BRD2 P25440 3/20 0.53
ADORA3 P0DMS8 1/20 0.51
TSPO P30536 1/20 0.51
BRDT Q58F21 4/20 0.51
BRD3 Q15059 1/20 0.51
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
SCHEMBL2536627 1.00 BRD4 (0.69) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2538991 0.94 BRD4 (0.61) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2538987 0.94 BRD4 (0.61) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2542306 0.93 BRD4 (0.61) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2539869 0.93 BRD4 (0.61) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2542313 0.93 BRD4 (0.61) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2539864 0.93 BRD4 (0.61) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2541368 0.93 BRD4 (0.60) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2541366 0.93 BRD4 (0.60) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2544355 0.93 BRD4 (0.68) BRD4BRD2ADORA3TSPOBRDT

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