SCHEMBL2544387

SCHEMBL2544387

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.54
DNER Q8NFT8 2/20 0.51
BRDT Q58F21 9/20 0.50
ADORA3 P0DMS8 1/20 0.50
TSPO P30536 1/20 0.50
BRD2 P25440 5/20 0.49
BRD3 Q15059 3/20 0.48
CREBBP Q92793 2/20 0.48
HDAC3 O15379 1/20 0.48
JAK2 O60674 1/20 0.48
BRD1 O95696 1/20 0.48
CCL2 P13500 1/20 0.48
HDAC4 P56524 1/20 0.48
EP300 Q09472 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL2544383 1.00 BRD4 (0.54) BRD4DNERBRDTADORA3TSPO
SCHEMBL2538830 0.90 BRD4 (0.54) BRD4DNERBRDTADORA3TSPO
SCHEMBL2538834 0.90 BRD4 (0.54) BRD4DNERBRDTADORA3TSPO
SCHEMBL2540741 0.88 BRD4 (0.51) BRD4DNERBRDT
SCHEMBL2540737 0.88 BRD4 (0.51) BRD4DNERBRDT
SCHEMBL2541816 0.88 BRD4 (0.69) BRD4DNERBRDTADORA3TSPO
SCHEMBL30320654 0.88 BRD4 (0.69) BRD4DNERBRDTADORA3TSPO
SCHEMBL2541813 0.88 BRD4 (0.69) BRD4DNERBRDTADORA3TSPO
SCHEMBL2534231 0.86 BRD4 (0.53) BRD4DNERBRDTADORA3TSPO
SCHEMBL2534226 0.86 BRD4 (0.53) BRD4DNERBRDTADORA3TSPO

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