SCHEMBL5798035

SCHEMBL5798035

O=C(O)c1nc2nc(NCc3ccccc3)[nH]c(=O)c2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.67
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PI4KA P42356 2/20 0.48
PI4K2B Q8TCG2 2/20 0.48
PI4K2A Q9BTU6 2/20 0.48
PI4KB Q9UBF8 2/20 0.48
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
XDH P47989 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL3433598 0.83 PNP (0.68) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL6359272 0.82 PNP (0.92) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL6356976 0.82 PNP (0.70) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL3670393 0.82 PNP (0.70) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL6357236 0.79 PNP (0.65) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL6356584 0.79 PNP (0.65) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL2776453 0.76 PNP (0.62) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL18251 0.76 PNP (0.62) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL1394088 0.75 PNP (0.61) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL3304711 0.75 PNP (0.60) PNPHPGDPKML3MBTL1PI4KA

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
WO-2006021553-A1 METHOD FOR PROTEIN PURIFICATION AND LABELING BASED ON A CHEMOSELECTIVE REACTION COVALYS BIOSCIENCES AG (CH) 2006-03-02 WO disclosed