SCHEMBL8318699

SCHEMBL8318699

Cc1nnc2n1-c1ccccc1C(c1ccccc1)=NN2Cc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.45
BRD2 P25440 11/20 0.44
BRD3 Q15059 11/20 0.44
P2RX7 Q99572 3/20 0.43
PTH1R Q03431 1/20 0.38
DHPS P49366 1/20 0.36

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
SCHEMBL8322553 0.92 BRD4 (0.48) BRD4BRD2BRD3P2RX7
Hydrochloric Acid SCHEMBL8636500 0.90 BRD4 (0.47) BRD4BRD2BRD3P2RX7
SCHEMBL8318545 0.90 BRD4 (0.43) BRD4BRD2BRD3P2RX7DHPS
SCHEMBL8318331 0.89 BRD4 (0.49) BRD4BRD2BRD3PTH1R
SCHEMBL8317080 0.88 BRD4 (0.63) BRD4BRD2BRD3P2RX7
SCHEMBL8317832 0.84 BRD4 (0.55) BRD4BRD2BRD3
SCHEMBL8320532 0.84 BRD4 (0.49) BRD4BRD2BRD3
Citric Acid SCHEMBL8317205 0.84 BRD4 (0.41) BRD4BRD2BRD3
SCHEMBL8316213 0.83 BRD4 (0.55) BRD4BRD2BRD3
SCHEMBL8319282 0.83 BRD4 (0.43) BRD4BRD2BRD3

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