SCHEMBL4237669

SCHEMBL4237669

Nc1nc(=O)c2c([nH]1)N=CCN2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
BLM P54132 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
SCHEMBL4237665 0.72 NOS1 (0.38)
SCHEMBL676635 0.72 CYP3A4 (0.32) CYP3A4BLM
SCHEMBL676634 0.66 KDM4E (0.43) CYP3A4BLM
SCHEMBL3454166 0.63 PNP (0.32) CYP3A4BLM
SCHEMBL18686362 0.61
SCHEMBL2273420 0.60
SCHEMBL3454198 0.59 CYP3A4 (0.36) CYP3A4BLM
SCHEMBL184925 0.58
SCHEMBL24149523 0.57 CYP1A2 (0.33) CYP3A4BLM
SCHEMBL9054708 0.57

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-1664317-B1 Use of precursor Z for the production of a means for therapy of human molybdenum cofactor deficiency ALEXION PHARMA INTERNAT SARL (CH) 2013-03-06 EP disclosed
US-7504095-B2 2,10-dioxo,2,12,12-trihydroxy,8-amino-4,4a,5a,6,9,10,11,11a,12,12a-decahydropterino(6',7':5,6)pyrano(2,3-d)-1,3,2-dioxaphosphorin TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2009-03-17 US disclosed
US-20070037250-A1 2,10-dioxo,2,12,12-trihydroxy,8-amino-4,4a,5a,6,9,10,11,11a,12,12a-decahydropterino(6',7':5,6)pyrano(2,3-d)-1,3,2-dioxaphosphorin PHOENIX TISSUE REPAIR, INC. 2007-02-15 US disclosed
EP-1664317-A2 METHOD FOR OBTAINING PRECURSOR Z AND USE THEREOF FOR THE PRODUCTION OF A MEANS FOR THERAPY OF HUMAN MOLYBDENUM COFACTOR DEFICIENCY Schwarz, Guenter (DE) 2006-06-07 EP disclosed
WO-2005073387-A2 METHOD FOR OBTAINING PRECURSOR Z AND USE THEREOF FOR THE PRODUCTION OF A MEANS FOR THERAPY OF HUMAN MOLYBDENUM COFACTOR DEFICIENCY SCHWARZ GUENTER (DE) 2005-08-11 WO disclosed