SCHEMBL5133744

SCHEMBL5133744

CCCONc1nc2nc(C)[nH]c2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.39
POLA1 P09884 1/20 0.34
GDA Q9Y2T3 1/20 0.33
PDE5A O76074 1/20 0.33
PNP P00491 1/20 0.33
FGFR1 P11362 3/20 0.33
FGFR2 P21802 3/20 0.33
FGFR3 P22607 1/20 0.32
NUDT1 P36639 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
SCHEMBL9275474 0.88 XDH (0.38) XDHPOLA1GDAPNPFGFR1
SCHEMBL2113438 0.87 GDA (0.35) XDHGDAPNPFGFR1FGFR2
SCHEMBL27503507 0.81 XDH (0.62) XDHPOLA1GDAPDE5A
SCHEMBL3512356 0.75 GDA (0.35) XDHGDAPNPFGFR1FGFR2
SCHEMBL65614 0.75 GDA (0.40) XDHGDAPNPFGFR1FGFR2
SCHEMBL4384740 0.74 XDH (0.67) XDHPOLA1PNP
SCHEMBL26155922 0.72 PNP (0.48) PNPNUDT1
SCHEMBL8591402 0.71 FGFR1 (0.51) GDAPNPFGFR1FGFR2FGFR3
SCHEMBL16513137 0.70 GDA (0.64) GDAFGFR1FGFR2FGFR3
SCHEMBL6270959 0.70 FYN (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825266-A1 DEVICE FOR MATERIAL PURIFICATION Advion, Inc. (US) 2015-01-21 EP disclosed
WO-2013138070-A9 DEVICE FOR MATERIAL PURIFICATION ADVION, INC. (US) 2014-03-27 WO disclosed
WO-2013138070-A1 DEVICE FOR MATERIAL PURIFICATION ADVION, INC. (US) 2013-09-19 WO disclosed
US-8206593-B2 Adapted for on-chip solvent exchange; synthesis of radiopharmaceuticals such as FDG (fludeoxyglucose F18) for example FLUIDIGM CORPORATION (US) 2012-06-26 US disclosed
US-20080281090-A1 Microfluidic Chemical Reaction Circuits CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-11-13 US disclosed