SCHEMBL2543210

SCHEMBL2543210

Cc1csc2c1C(c1ccccc1-c1cncc(C#N)c1)=NC([C@H](C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.38
BRDT Q58F21 9/20 0.36
BRD2 P25440 1/20 0.33
POLQ O75417 1/20 0.33
CD274 Q9NZQ7 2/20 0.32
PDCD1 Q15116 1/20 0.32

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
SCHEMBL2543207 1.00 BRD4 (0.38) BRD4BRDTBRD2POLQCD274
SCHEMBL3210293 0.86 BRD4 (0.47) BRD4BRDTBRD2
SCHEMBL2540727 0.83 BRD4 (0.52) BRD4BRDT
SCHEMBL2539794 0.78 BRD4 (0.56) BRD4BRDT
SCHEMBL2539800 0.78 BRD4 (0.56) BRD4BRDT
SCHEMBL2536621 0.76 BRD4 (0.49) BRD4BRDTBRD2
SCHEMBL2536623 0.76 BRD4 (0.49) BRD4BRDTBRD2
SCHEMBL2542061 0.71 BRD4 (0.68) BRD4BRDT
SCHEMBL2540750 0.71 BRD4 (0.58) BRD4BRDT
SCHEMBL2534246 0.70 BRD4 (0.57) BRD4BRDT

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