SCHEMBL8316964

SCHEMBL8316964

Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=NN2Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.51
BRD2 P25440 2/20 0.43
BRD3 Q15059 2/20 0.43
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
CCKBR P32239 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
HTR2A P28223 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
GABRA2 P47869 1/20 0.39
PDE4D Q08499 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 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
SCHEMBL8320130 0.92 BRD4 (0.51) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8321839 0.90 BRD4 (0.49) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8318456 0.89 BRD4 (0.55) BRD4BRD2BRD3CCKBRGABRA1
SCHEMBL8317832 0.88 BRD4 (0.55) BRD4BRD2BRD3CCKBRGABRA1
SCHEMBL8316990 0.88 BRD4 (0.47) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8320784 0.88 BRD4 (0.47) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8318300 0.87 BRD4 (0.47) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8318260 0.87 BRD4 (0.47) BRD4BRD2BRD3TNKSTNKS2
SCHEMBL8317706 0.86 BRD4 (0.52) BRD4BRD2BRD3CCKBRGABRA1
SCHEMBL8316213 0.86 BRD4 (0.55) BRD4BRD2BRD3CCKBRGABRA1

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 5 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
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