SCHEMBL1980959

SCHEMBL1980959

Nc1nc2c(ncn2Cc2ccccc2)c(=O)[nH]1.[Tb]

nearest known ligand 0.97

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNP P00491 17/20 0.97
XDH P47989 1/20 0.60
TK1 P04183 1/20 0.56

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
SCHEMBL18249 0.99 PNP (1.00) PNPXDHTK1
SCHEMBL1262622 0.87 PNP (0.79) PNPTK1
SCHEMBL3308559 0.87 PNP (0.79) PNPXDHTK1
SCHEMBL9226982 0.87 PNP (0.79) PNPTK1
SCHEMBL6268532 0.87 PNP (0.79) PNPXDHTK1
SCHEMBL10506929 0.87 PNP (0.78) PNPXDHTK1
SCHEMBL3021041 0.86 PNP (0.77) PNPTK1
SCHEMBL3310273 0.86 PNP (0.77) PNPTK1
SCHEMBL1533549 0.86 PNP (0.77) PNPTK1
SCHEMBL3303813 0.86 PNP (0.77) PNPXDHTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2329272-B1 METHOD FOR DETECTING MEMBRANE PROTEIN INTERNALIZATION ION BEAM APPLIC (BE) 2013-10-09 EP disclosed
EP-2329272-A2 METHOD FOR DETECTING MEMBRANE PROTEIN INTERNALIZATION Cis-Bio International (FR) 2011-06-08 EP disclosed
WO-2010012962-A2 METHOD FOR DETECTING MEMBRANE PROTEIN INTERNALIZATION CIS-BIO INTERNATIONAL (FR) 2010-02-04 WO disclosed