SCHEMBL8317080

SCHEMBL8317080

Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NN2Cc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.63
OPRK1 P41145 4/20 0.50
HPGD P15428 4/20 0.50
GABRA1 P14867 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA2 P47869 3/20 0.50
GABRA3 P34903 2/20 0.50
GABRB2 P47870 2/20 0.50
LMNA P02545 1/20 0.50
CNR1 P21554 1/20 0.50
P2RX7 Q99572 3/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
ADRA1A P35348 2/20 0.40
PDE4D Q08499 2/20 0.40
TP53 P04637 2/20 0.40
GABRG2 P18507 1/20 0.40
HTR2A P28223 1/20 0.40
GABRB3 P28472 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8317847 0.91 BRD4 (0.67) BRD4OPRK1HPGDGABRA1GABRA5
Hydrochloric Acid SCHEMBL8319036 0.90 BRD4 (0.66) BRD4OPRK1HPGDGABRA1GABRA5
SCHEMBL8317164 0.90 GABRA1 (0.51) BRD4OPRK1HPGDGABRA1GABRA5
SCHEMBL8322553 0.88 BRD4 (0.48) BRD4P2RX7BRD2BRD3
SCHEMBL8318699 0.88 BRD4 (0.45) BRD4P2RX7BRD2BRD3
Hydrochloric Acid SCHEMBL8636500 0.86 BRD4 (0.47) BRD4P2RX7BRD2BRD3
SCHEMBL8318050 0.85 BRD4 (0.63) BRD4OPRK1HPGDGABRA1GABRA5
SCHEMBL8320532 0.84 BRD4 (0.49) BRD4LMNABRD2BRD3SMN1; SMN2
SCHEMBL8318545 0.84 BRD4 (0.43) BRD4P2RX7BRD2BRD3PTGS2
SCHEMBL8317832 0.81 BRD4 (0.55) BRD4OPRK1HPGDGABRA1GABRA5

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