SCHEMBL6910786

SCHEMBL6910786

CCCCCCCCCCc1ccc2nc(N)nnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.51
PIK3CG P48736 1/20 0.46
PABPC1 P11940 1/20 0.46
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
HTR2A P28223 1/20 0.45
DHFR P00374 1/20 0.43
SRC P12931 1/20 0.43
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13156563 0.80 TLR8 (0.51) TLR8S1PR4S1PR1S1PR5HTR2A
SCHEMBL18805360 0.80 TLR8 (0.51) TLR8S1PR4S1PR1S1PR5HTR2A
SCHEMBL19478673 0.79 PSMB5 (0.52) TLR8S1PR4S1PR1S1PR5HTR2A
SCHEMBL5398097 0.78 TLR8 (0.53) TLR8DHFR
SCHEMBL10479144 0.78 TLR8 (0.53) TLR8DHFR
SCHEMBL8608786 0.76 TLR8 (0.52) TLR8DHFR
SCHEMBL23130637 0.74 PSMB5 (0.57) TLR8RAB9AHPGDSMN1; SMN2SKP2
SCHEMBL3397263 0.74 TLR8 (0.47) TLR8S1PR4S1PR1S1PR5KDM4E
SCHEMBL5998084 0.73 TLR8 (0.46) TLR8S1PR4S1PR1S1PR5HTR2A
SCHEMBL6347222 0.72 ESR1 (0.47) TLR8HTR2AKDM4ERAB9AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972517-B1 Use of 1,2,4-benzotriazine oxides for the preparation of a medicament for the treatment of tumors UNIV LELAND STANFORD JUNIOR (US) 2004-07-07 EP disclosed
US-6277835-B1 ADMINISTERING SYNERGISTIC DOSAGE OF A 1,2,4-BENZOTRIAZINE OXIDE COMPOUND CYTOLYTIC AGENT EFFECTIVE AGAINST HYPOXIC TUMOR CELLS AND AN ANTITUMOR AGENT EFFECTIVE AGAINST OXYGENATED TUMOR CELLS THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2001-08-21 US disclosed
US-6121263-A Method of tumor treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-09-19 US disclosed
EP-0649658-B1 Use of 1,2,4-benzotriazine oxides for the manufacture of a medicament for the treatment of tumors UNIV LELAND STANFORD JUNIOR (US) 2000-06-14 EP disclosed
EP-0972517-A2 Use of 1,2,4-benzotriazine oxides for the preparation of a medicament for the treatment of tumours THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-01-19 EP disclosed
US-5670502-A Method of tumor treatment THE BOARD OF TRUSTEES OF LELAND STANFORD JR. UNIV. (US) 1997-09-23 US disclosed
US-5484612-A Method of treating a mammal having a solid tumor susceptible to treatment with cisplatin THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1996-01-16 US disclosed
EP-0649658-A1 Method of tumor treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1995-04-26 EP disclosed