SCHEMBL5608149

SCHEMBL5608149

CS(=O)(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
BRAF P15056 15/20 0.36
ABL1 P00519 2/20 0.36
MAPK14 Q16539 2/20 0.36
CHEK1 O14757 1/20 0.36
PRKCB P05771 1/20 0.36
FYN P06241 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
MET P08581 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKCA P17252 1/20 0.36
CDK2 P24941 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAP4K2 Q12851 1/20 0.36
ROCK1 Q13464 1/20 0.36
RPS6KA1 Q15418 1/20 0.36

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
SCHEMBL5380042 0.87 KMT2A (0.40) NPSR1MAPTPTGS2
SCHEMBL4843762 0.84 CNR1 (0.33) HSD11B1
SCHEMBL5390365 0.79 MAPT (0.39) MAPT
SCHEMBL5390372 0.78 MAPT (0.40) NPSR1MAPT
SCHEMBL4841245 0.76 CNR1 (0.34) NPSR1MAPTHSD11B1
SCHEMBL4841250 0.76 CNR1 (0.34) NPSR1MAPTHSD11B1
SCHEMBL4832935 0.75 CNR1 (0.36) HSD11B1
SCHEMBL4843297 0.75 HSD11B1 (0.34) NPSR1HSD11B1
SCHEMBL5608584 0.74 PTPN11 (0.41) NPSR1NPC1CDK2MAPT
SCHEMBL5617770 0.74 CNR1 (0.42) NPSR1NPC1MAPK14CDK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502808-A 2007-02-15 JP claimed
EP-1658082-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1626738-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-02-22 EP claimed
WO-2005018645-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043327-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
WO-2004098641-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
US-20040224963-A1 Pharmaceutical composition for the prevention and treatment of nicotine addiction in a mammal PFIZER INC 2004-11-11 US claimed
US-20040224962-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2004-11-11 US claimed
EP-1658082-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP disclosed
EP-1626738-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-02-22 EP disclosed
EP-1624895-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-02-15 EP disclosed
WO-2005018645-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO disclosed
US-20050043327-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US disclosed
WO-2004098580-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
WO-2004098641-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
US-20040224963-A1 Pharmaceutical composition for the prevention and treatment of nicotine addiction in a mammal PFIZER INC 2004-11-11 US disclosed
US-20040224962-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2004-11-11 US disclosed