SCHEMBL2543006

SCHEMBL2543006

CC[C@H](C(=O)O)C1N=C(c2ccc(NCc3ccccc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.69
BRD2 P25440 4/20 0.57
BRD3 Q15059 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
TSPO P30536 1/20 0.48
DNER Q8NFT8 1/20 0.47
BRDT Q58F21 2/20 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
SCHEMBL2543001 1.00 BRD4 (0.69) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL2539253 0.94 BRD4 (0.61) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL2539258 0.94 BRD4 (0.61) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL2536508 0.93 BRD4 (0.62) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL2543958 0.93 BRD4 (0.62) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL2543935 0.93 BRD4 (0.60) BRD4BRD2BRD3BRDT
SCHEMBL2543934 0.93 BRD4 (0.60) BRD4BRD2BRD3BRDT
SCHEMBL2537199 0.92 BRD4 (0.67) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL2535976 0.92 BRD4 (0.59) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL2536497 0.92 BRD4 (0.65) 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