SCHEMBL2539741

SCHEMBL2539741

Cc1sc2c(c1C)C(c1ccc(NCc3ccc(C#N)cn3)cc1)=NC([C@H](C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.55
BRDT Q58F21 11/20 0.55

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
SCHEMBL2536351 0.89 BRD4 (0.62) BRD4BRDT
SCHEMBL2536352 0.89 BRD4 (0.62) BRD4BRDT
SCHEMBL2542885 0.88 BRD4 (0.59) BRD4BRDT
SCHEMBL2544011 0.87 BRD4 (0.66) BRD4BRDT
SCHEMBL3211747 0.87 BRD4 (0.67) BRD4BRDT
SCHEMBL2544018 0.85 BRD4 (0.71) BRD4BRDT
SCHEMBL2538223 0.85 BRD4 (0.71) BRD4BRDT
SCHEMBL2542138 0.84 BRD4 (0.65) BRD4BRDT
SCHEMBL2542041 0.84 BRD4 (0.63) BRD4BRDT
SCHEMBL2542040 0.84 BRD4 (0.63) 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