SCHEMBL5329388

SCHEMBL5329388

N=C(N)c1ccc2[nH]c(C=Cc3nc4cc(C(=N)N)ccc4[nH]3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.49
F2 P00734 4/20 0.49
F7 P08709 2/20 0.49
TPSAB1 Q15661 3/20 0.48
PRSS1 P07477 3/20 0.48
PLAU P00749 2/20 0.48
PLG P00747 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL548437 1.00 F10 (0.49) F10F2F7TPSAB1PRSS1
SCHEMBL9101801 0.88 F10 (0.47) F10F2F7TPSAB1PRSS1
SCHEMBL20184761 0.87 F10 (0.63) F10F2F7TPSAB1PRSS1
SCHEMBL5329624 0.87 F10 (0.50) F10F2F7TPSAB1PRSS1
SCHEMBL12412058 0.85 PRMT1 (0.66) F10F2F7
SCHEMBL6680675 0.80 F2 (0.51) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL29202497 0.80 F2 (0.68) F10F2F7TPSAB1PRSS1
SCHEMBL5237850 0.79 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL6165236 0.79 PLAU (0.40) F10F2F7TPSAB1PRSS1
SCHEMBL548419 0.77 F10 (0.63) F10F2F7TPSAB1PRSS1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829509-A Pharmaceutical composition for treating tumors COMBINATORX INC (US) 2006-09-06 CN claimed
US-6815461-B1 ADMINISTERING BIS-BENZIMIDAZOLE COMPOUND; TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-11-09 US claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
EP-0739202-B1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE UNIV NORTH CAROLINA (US) 1998-12-16 EP claimed
EP-0739202-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-10-30 EP claimed
WO-1995019772-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-07-27 WO claimed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
EP-1670477-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS CombinatoRx, Incorporated (US) 2006-06-21 EP disclosed
WO-2005027842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
US-6815461-B1 ADMINISTERING BIS-BENZIMIDAZOLE COMPOUND; TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-11-09 US disclosed
US-6815461-B1 ADMINISTERING BIS-BENZIMIDAZOLE COMPOUND; TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-11-09 US disclosed
EP-0859768-A4 AMINE ACID SALT COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF YOO SEO HONG (US) 1998-11-11 EP disclosed
EP-0859768-A1 AMINE ACID SALT COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF Yoo, Seo Hong (US) 1998-08-26 EP disclosed
WO-1997007112-A1 AMINE ACID SALT COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF YOO SEO HONG (US) 1997-02-27 WO disclosed
EP-0739202-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-10-30 EP disclosed
EP-0739202-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-10-30 EP disclosed
WO-1995019772-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-07-27 WO disclosed
WO-1995019772-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-07-27 WO disclosed