SCHEMBL2537229

SCHEMBL2537229

Cc1c(CO)sc2c1C(c1ccc(NCCc3cccc(F)c3)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 19/20 0.51
BRD2 P25440 2/20 0.40
BRDT Q58F21 6/20 0.40

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
SCHEMBL2537228 1.00 BRD4 (0.51) BRD4BRD2BRDT
SCHEMBL2538981 0.87 BRD4 (0.51) BRD4BRD2BRDT
SCHEMBL2538986 0.87 BRD4 (0.51) BRD4BRD2BRDT
SCHEMBL3215682 0.87 BRD4 (0.61) BRD4BRD2BRDT
SCHEMBL2537126 0.87 BRD4 (0.59) BRD4BRD2BRDT
SCHEMBL2537129 0.87 BRD4 (0.59) BRD4BRD2BRDT
SCHEMBL2545011 0.86 BRD4 (0.54) BRD4BRD2BRDT
SCHEMBL2545315 0.86 BRD4 (0.54) BRD4BRD2BRDT
SCHEMBL2538951 0.86 BRD4 (0.60) BRD4BRDT
SCHEMBL2538956 0.86 BRD4 (0.60) 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