SCHEMBL2536508

SCHEMBL2536508

CC[C@H](C(=O)O)C1N=C(c2ccc(NCc3ccc(F)cc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.62
BRD2 P25440 3/20 0.49
ADORA3 P0DMS8 1/20 0.48
TSPO P30536 1/20 0.48
BRDT Q58F21 2/20 0.47
BRD3 Q15059 1/20 0.47
DNER Q8NFT8 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
SCHEMBL2543958 1.00 BRD4 (0.62) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2540552 0.93 BRD4 (0.54) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2540549 0.93 BRD4 (0.54) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2543006 0.93 BRD4 (0.69) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2543001 0.93 BRD4 (0.69) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2539253 0.92 BRD4 (0.61) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2539258 0.92 BRD4 (0.61) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2542399 0.92 BRD4 (0.59) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2542403 0.92 BRD4 (0.59) BRD4BRD2ADORA3TSPOBRDT
SCHEMBL2542935 0.91 BRD4 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP claimed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed