SCHEMBL2540552

SCHEMBL2540552

CC[C@H](C(=O)O)C1N=C(c2ccc(NCCc3ccc(F)cc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.54
ADORA3 P0DMS8 1/20 0.48
TSPO P30536 1/20 0.48
BRDT Q58F21 4/20 0.47
BRD2 P25440 2/20 0.46
BRD3 Q15059 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
SCHEMBL2540549 1.00 BRD4 (0.54) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2535976 0.94 BRD4 (0.59) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2543958 0.93 BRD4 (0.62) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2536508 0.93 BRD4 (0.62) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2542403 0.92 BRD4 (0.59) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2542399 0.92 BRD4 (0.59) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2534248 0.91 BRD4 (0.55) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2534250 0.91 BRD4 (0.55) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2538525 0.90 BRD4 (0.57) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL2536530 0.90 BRD4 (0.57) BRD4ADORA3TSPOBRDTBRD2

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