SCHEMBL7083772

SCHEMBL7083772

Cn1c(=O)n(C)c2c1n(C)c(=O)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ADORA2A P29274 2/20 0.35
ATAD2 Q6PL18 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL141994 0.82 GSK3A (0.44) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL13024710 0.72 ATAD2 (0.39) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL1861019 0.69 MAPT (0.43) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL10044026 0.67 ATAD2 (0.36) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL20869157 0.67 PIK3CD (0.33) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL21387937 0.67 PIK3CD (0.33) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL20869155 0.67 ATAD2 (0.36) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL2031094 0.67 CSNK2A2 (0.41) ADORA2ALMNAADORA3ADORA2BADORA1
SCHEMBL12360450 0.67 GSK3A (0.39) GSK3AGSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL14700971 0.65 HTT (0.42) GSK3AGSK3BPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084091-B1 METHOD FOR PRODUCING ALKYL CHLORIDE, ALKENYL CHLORIDE AND ALKINYL CHLORIDE BASF AG (DE) 2003-07-23 EP claimed
EP-1036055-B1 METHOD FOR PRODUCING CHLOROCARBOXYLIC ACID CHLORIDES BASF AG (DE) 2002-03-27 EP claimed
US-6262300-B1 REACTING THE CORRESPONDING LACTONE WITH PHOSPGENE IN PRESENCE OF UREA BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US claimed
US-6245954-B1 PREPARING ALKYL, ALKENYL AND ALKYNYL CHLORIDES FROM ALCOHOLS BY REACTION WITH CHLORINATING AGENT IN PRESENCE OF UREA COMPOUND AS CATALYST BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
EP-1084091-B1 METHOD FOR PRODUCING ALKYL CHLORIDE, ALKENYL CHLORIDE AND ALKINYL CHLORIDE BASF AG (DE) 2003-07-23 EP disclosed
EP-1007510-B1 METHOD FOR PRODUCING THIOCHLOROFORMATES BASF AG (DE) 2002-03-27 EP disclosed
US-6262300-B1 REACTING THE CORRESPONDING LACTONE WITH PHOSPGENE IN PRESENCE OF UREA BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
US-6245954-B1 PREPARING ALKYL, ALKENYL AND ALKYNYL CHLORIDES FROM ALCOHOLS BY REACTION WITH CHLORINATING AGENT IN PRESENCE OF UREA COMPOUND AS CATALYST BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
US-6162939-A Method for producing thiochloroformates BASF AKTIENGESELLSCHAFT (DE) 2000-12-19 US disclosed