SCHEMBL2544227

SCHEMBL2544227

CSc1nccc(-c2ccc(C3=N[C@@H](C(C)C(=O)O)c4nnc(C)n4-c4sc(C)c(C)c43)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.49
DNER Q8NFT8 1/20 0.46
BRDT Q58F21 9/20 0.45
ADORA3 P0DMS8 1/20 0.45
TSPO P30536 1/20 0.45
BRD2 P25440 1/20 0.45

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
SCHEMBL2544229 1.00 BRD4 (0.49) BRD4DNERBRDTADORA3TSPO
SCHEMBL2544176 0.86 BRD4 (0.48) BRD4DNERBRDTADORA3TSPO
SCHEMBL2538161 0.86 BRD4 (0.51) BRD4DNERBRDT
SCHEMBL2544179 0.86 BRD4 (0.48) BRD4DNERBRDTADORA3TSPO
SCHEMBL2538155 0.86 BRD4 (0.51) BRD4DNERBRDT
SCHEMBL2542988 0.86 BRD4 (0.54) BRD4DNERBRDTADORA3TSPO
SCHEMBL3209631 0.85 BRD4 (0.70) BRD4DNERBRDTADORA3TSPO
SCHEMBL23320673 0.83 BRD4 (0.56) BRD4DNERBRDTADORA3TSPO
SCHEMBL2541816 0.83 BRD4 (0.69) BRD4DNERBRDTADORA3TSPO
SCHEMBL2541813 0.83 BRD4 (0.69) BRD4DNERBRDTADORA3TSPO

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