SCHEMBL4237665

SCHEMBL4237665

Nc1nc2c(c(=O)[nH]1)NCC=N2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.38
PNP P00491 2/20 0.36
QTRT1 Q9BXR0 1/20 0.35
XDH P47989 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
DYRK1A Q13627 1/20 0.34
USP2 O75604 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PAH P00439 1/20 0.34

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
SCHEMBL4237669 0.72 CYP3A4 (0.32)
SCHEMBL676634 0.72 KDM4E (0.43) NOS1PNPQTRT1XDHNOS3
7-Deazaguanine SCHEMBL26412 0.71 PNP (0.38) PNPQTRT1XDHDYRK1AHSD17B10
SCHEMBL8133897 0.66 NOS1 (0.33) NOS1PNPQTRT1XDHNOS3
SCHEMBL10064935 0.66 TYMS (0.41) NOS1PNPNOS3NOS2
SCHEMBL676635 0.66 CYP3A4 (0.32)
SCHEMBL2523525 0.63 NOS1 (0.53) NOS1PNPNOS3NOS2DYRK1A
SCHEMBL3454164 0.63 NOS1 (0.53) NOS1PNPNOS3NOS2USP2
SCHEMBL8553212 0.63 PNP (0.41) NOS1PNPQTRT1DYRK1AHSD17B10
SCHEMBL6556237 0.63 PNP (0.41) NOS1PNPQTRT1DYRK1AHSD17B10

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