SCHEMBL2540741

SCHEMBL2540741

Cc1sc2c(c1C)C(c1ccc(-c3cc(C#N)ncn3)cc1)=NC([C@H](C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.51
BRDT Q58F21 11/20 0.51
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
SCHEMBL2540737 1.00 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2542624 0.90 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2542629 0.90 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2542329 0.88 BRD4 (0.52) BRD4BRDTDNER
SCHEMBL2542324 0.88 BRD4 (0.52) BRD4BRDTDNER
SCHEMBL2544387 0.88 BRD4 (0.54) BRD4BRDTDNER
SCHEMBL2544383 0.88 BRD4 (0.54) BRD4BRDTDNER
SCHEMBL2537187 0.87 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2538088 0.87 BRD4 (0.55) BRD4BRDTDNER
SCHEMBL2537191 0.87 BRD4 (0.51) BRD4BRDTDNER

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