SCHEMBL8696946

SCHEMBL8696946

N#Cc1cc([N]CCO)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
EGFR P00533 1/20 0.34
USP7 Q93009 2/20 0.33
HTT P42858 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL8696644 0.76 CPB2 (0.35) USP7
SCHEMBL8697303 0.69 GABRP (0.38) KDM4EGAAALDH1A1HSD17B10
SCHEMBL23888650 0.69 CSNK1A1 (0.41) USP7HTTCSNK1A1CLK4KDM4E
SCHEMBL7898980 0.68 HTT (0.44) HTTCSNK1A1CLK4KDM4EGAA
SCHEMBL245286 0.66 HTT (0.62) HTTCSNK1A1CLK4KDM4EGAA
SCHEMBL7898395 0.65 HTT (0.41) HTTCSNK1A1CLK4KDM4EGAA
SCHEMBL921763 0.65 KHK (0.43) HTTCSNK1A1CLK4KDM4EGAA
SCHEMBL322329 0.65 HTT (0.54) HTTCSNK1A1CLK4KDM4EGAA
SCHEMBL31695297 0.65 NOS3 (0.54) HTTCSNK1A1CLK4KDM4EGAA
SCHEMBL30937717 0.65 KHK (0.43) HTTCSNK1A1CLK4KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 US disclosed