SCHEMBL27610829

SCHEMBL27610829

COc1ccc(CNc2nc3nc[nH]c3c(=O)[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.62
▸ XDH P47989 3/20 0.56
▸ PDE9A O76083 3/20 0.54
▸ POLA1 P09884 1/20 0.52
▸ FABP4 P15090 1/20 0.51
▸ GDA Q9Y2T3 1/20 0.50

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
SCHEMBL25269638 0.84 XDH (0.56) XDHPOLA1GDA
SCHEMBL29561480 0.84 XDH (0.56) XDHPOLA1
SCHEMBL18251 0.84 PNP (0.62) XDH
SCHEMBL6812718 0.83 XDH (0.57) XDHGDA
SCHEMBL1394088 0.83 PNP (0.61) XDH
Hydrochloric Acid SCHEMBL17186589 0.81 XDH (0.53) XDH
Cyanide SCHEMBL2694132 0.81 PNP (0.58) XDH
SCHEMBL1573109 0.80 PDE9A (0.51) PDE9AFABP4
SCHEMBL8145524 0.79 POLA1 (0.65) XDHPOLA1
SCHEMBL2343363 0.78 XDH (0.65) XDHGDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100379750-C Inhibitors of nucleoside phosphorylases and nucleosidases EINSTEIN COLL MED (US) 2008-04-09 — — CN disclosed
CN-1692120-A Nucleoside phosphorylase and nucleosidase inhibitors EINSTEIN COLL MED (US) 2005-11-02 — — CN disclosed
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