SCHEMBL8319224

SCHEMBL8319224

Cc1ccc(C2=NNc3nnc(C)n3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.46
BRD2 P25440 7/20 0.46
BRD3 Q15059 7/20 0.46
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
AKT1 P31749 1/20 0.38

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
SCHEMBL8319053 0.90 BRD4 (0.44) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8318668 0.90 BRD4 (0.59) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8315557 0.85 BRD4 (0.46) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8319825 0.84 BRD4 (0.44) BRD4BRD2BRD3
SCHEMBL8317643 0.80 BRD4 (0.43) BRD4BRD2BRD3
SCHEMBL8316669 0.77 OPRK1 (0.61) BRD4BRD2BRD3
SCHEMBL11103275 0.77 PTAFR (0.47) BRD4BRD2BRD3
SCHEMBL11107514 0.77 GABRA1 (0.61) BRD4BRD2BRD3
Bromide SCHEMBL8319843 0.76 OPRK1 (0.60) BRD4BRD2BRD3
SCHEMBL11961522 0.72 BRD4 (0.85) BRD4BRD2BRD3HDAC3HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed