SCHEMBL8319404

SCHEMBL8319404

COc1ccc(CN2N=C(c3ccccc3)c3ccccc3-n3c(C)nnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.47
BRD2 P25440 11/20 0.46
BRD3 Q15059 11/20 0.46
OXTR P30559 2/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AVPR2 P30518 1/20 0.39
AVPR1A P37288 1/20 0.39

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
SCHEMBL8318824 0.94 BRD4 (0.45) BRD4BRD2BRD3OXTRGLA
SCHEMBL8320603 0.93 BRD4 (0.48) BRD4BRD2BRD3GLA
SCHEMBL8317515 0.92 BRD4 (0.43) BRD4BRD2BRD3OXTRGLA
SCHEMBL8322984 0.91 BRD4 (0.51) BRD4BRD2BRD3NPC1RAB9A
SCHEMBL8318078 0.90 BRD4 (0.44) BRD4BRD2BRD3OXTRCYP11B1
SCHEMBL8318050 0.89 BRD4 (0.63) BRD4BRD2BRD3GLA
SCHEMBL8316213 0.86 BRD4 (0.55) BRD4BRD2BRD3
SCHEMBL8318331 0.86 BRD4 (0.49) BRD4BRD2BRD3GAA
SCHEMBL8316386 0.85 BRD4 (0.44) BRD4BRD2BRD3NPC1RAB9A
SCHEMBL8318456 0.84 BRD4 (0.55) 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