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SCHEMBL2543087

SCHEMBL2543087

CCC(C(=O)O)[C@@H]1N=C(c2ccc(-c3cccnc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.57
▸ DNER Q8NFT8 1/20 0.49
▸ NAMPT P43490 5/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47
▸ TSPO P30536 1/20 0.47
▸ BRD2 P25440 3/20 0.47
▸ BRDT Q58F21 2/20 0.47
▸ BRD3 Q15059 1/20 0.47

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
SCHEMBL2543089 1.00 BRD4 (0.57) BRD4DNERNAMPTADORA3TSPO
SCHEMBL2542808 0.91 BRD4 (0.54) BRD4DNERADORA3TSPOBRD2
SCHEMBL2542796 0.91 BRD4 (0.54) BRD4DNERADORA3TSPOBRD2
SCHEMBL2537890 0.91 BRD4 (0.70) BRD4NAMPTADORA3TSPOBRD2
SCHEMBL2537895 0.91 BRD4 (0.70) BRD4NAMPTADORA3TSPOBRD2
SCHEMBL2539288 0.90 BRD4 (0.56) BRD4DNERADORA3TSPOBRD2
SCHEMBL2539278 0.90 BRD4 (0.56) BRD4DNERADORA3TSPOBRD2
SCHEMBL2541398 0.89 BRD4 (0.51) BRD4DNERADORA3TSPOBRD2
SCHEMBL2541406 0.89 BRD4 (0.51) BRD4DNERADORA3TSPOBRD2
SCHEMBL2543934 0.88 BRD4 (0.60) BRD4NAMPTBRD2BRDTBRD3

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