SCHEMBL8318331

SCHEMBL8318331

Cc1nnc2n1-c1ccccc1C(c1ccccc1)=NN2Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.49
BRD2 P25440 11/20 0.48
BRD3 Q15059 11/20 0.48
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTH1R Q03431 1/20 0.39
CCKBR P32239 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL8319282 0.93 BRD4 (0.43) BRD4BRD2BRD3CYP1A2CYP3A4
SCHEMBL8317106 0.92 BRD4 (0.51) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8319748 0.89 BRD4 (0.46) BRD4BRD2BRD3CYP1A2CYP3A4
SCHEMBL8318699 0.89 BRD4 (0.45) BRD4BRD2BRD3PTH1R
SCHEMBL8317847 0.88 BRD4 (0.67) BRD4BRD2BRD3CCKBR
Hydrochloric Acid SCHEMBL8319036 0.87 BRD4 (0.66) BRD4BRD2BRD3CCKBR
SCHEMBL8316213 0.87 BRD4 (0.55) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8317832 0.86 BRD4 (0.55) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8319404 0.86 BRD4 (0.47) BRD4BRD2BRD3GAA
SCHEMBL8318456 0.85 BRD4 (0.55) BRD4BRD2BRD3CCKBRHDAC3

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 6 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 claimed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US claimed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP claimed
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