SCHEMBL2545004

SCHEMBL2545004

Cc1sc2c(c1C)C(c1ccc(NCc3ccco3)cc1)=NC([C@H](C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.56
BRD2 P25440 5/20 0.48
BRDT Q58F21 4/20 0.47
BRD3 Q15059 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
TSPO P30536 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
SCHEMBL2544999 1.00 BRD4 (0.56) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL2539916 0.89 BRD4 (0.55) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL2539919 0.89 BRD4 (0.55) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL2538223 0.88 BRD4 (0.71) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL2544018 0.88 BRD4 (0.71) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL2534370 0.88 BRD4 (0.57) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL2534373 0.88 BRD4 (0.57) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL3207150 0.86 BRD4 (0.68) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL2537230 0.86 BRD4 (0.61) BRD4BRD2BRDTBRD3ADORA3
SCHEMBL2537226 0.86 BRD4 (0.61) BRD4BRD2BRDTBRD3ADORA3

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