SCHEMBL3961346

SCHEMBL3961346

N#Cc1cc2ccccc2c(I)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.45
CLK1 P49759 2/20 0.45
NCOA3 Q9Y6Q9 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ANPEP P15144 1/20 0.38
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL28869476 0.82 CLK1 (0.49) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL31457372 0.82 CLK1 (0.49) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL7307452 0.78 CA1 (0.46) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL9453843 0.78 CLK1 (0.45) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL8955230 0.78 DYRK1A (0.45) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL11845987 0.78 KDM4E (0.47) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL10829252 0.78 CLK1 (0.45) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL10338293 0.78 KDM4E (0.59) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL6230763 0.77 CLK1 (0.45) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL23087338 0.76 DYRK1A (0.44) DYRK1ACLK1NCOA3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1823038-B Amphiphilic trisulfonated porphyrazines for photodynamic applications in medicine UNIV SHERBROOKE 2010-05-12 CN claimed
EP-1628958-B1 AMPHIPHILIC TRISULFONATED PORPHYRAZINES FOR PHOTODYNAMIC APPLICATIONS IN MEDICINE UNIV SHERBROOKE (CA) 2009-06-17 EP claimed
US-7541457-B2 Amphiphilic trisulfonated porphyrazines for photodynamic applications in medicine UNIVERSITE DE SHERBROOKE (CA) 2009-06-02 US claimed
JP-2006528665-A 2006-12-21 JP claimed
US-20060282038-A1 Amphiphilic trisulfonated porphyrazines for photodynamic applications in medicine NORVISION THERAPEUTICS INC. (CA) 2006-12-14 US claimed
CN-1823038-A Amphiphilic trisulfonated porphyrazines for photodynamic applications in medicine UNIV SHERBROOKE (CA) 2006-08-23 CN claimed
EP-1628958-A2 AMPHIPHILIC TRISULFONATED PORPHYRAZINES FOR PHOTODYNAMIC APPLICATIONS IN MEDICINE Universit de Sherbrooke (CA) 2006-03-01 EP claimed
WO-2004101516-A2 AMPHIPHILIC TRISULFONATED PORPHYRAZINES FOR PHOTODYNAMIC APPLICATIONS IN MEDICINE UNIVERSITé DE SHERBROOKE (CA) 2004-11-25 WO claimed
EP-1628958-B1 AMPHIPHILIC TRISULFONATED PORPHYRAZINES FOR PHOTODYNAMIC APPLICATIONS IN MEDICINE UNIV SHERBROOKE (CA) 2009-06-17 EP disclosed
US-7541457-B2 Amphiphilic trisulfonated porphyrazines for photodynamic applications in medicine UNIVERSITE DE SHERBROOKE (CA) 2009-06-02 US disclosed
US-20060282038-A1 Amphiphilic trisulfonated porphyrazines for photodynamic applications in medicine NORVISION THERAPEUTICS INC. (CA) 2006-12-14 US disclosed
EP-1628958-A2 AMPHIPHILIC TRISULFONATED PORPHYRAZINES FOR PHOTODYNAMIC APPLICATIONS IN MEDICINE Universit de Sherbrooke (CA) 2006-03-01 EP disclosed
WO-2004101516-A2 AMPHIPHILIC TRISULFONATED PORPHYRAZINES FOR PHOTODYNAMIC APPLICATIONS IN MEDICINE UNIVERSITé DE SHERBROOKE (CA) 2004-11-25 WO disclosed