SCHEMBL7809886

SCHEMBL7809886

CCCCCN(CCCCC)c1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.57
POLA1 P09884 1/20 0.48
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
PNP P00491 1/20 0.47
PDE5A O76074 1/20 0.44
GDA Q9Y2T3 1/20 0.43
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
PDE4A P27815 1/20 0.42
ADORA2A P29274 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL2732874 0.88 XDH (0.52) XDHPOLA1HTTNCOA1SMN1; SMN2
SCHEMBL27762591 0.86 XDH (0.50) XDHPOLA1HTTNCOA1SMN1; SMN2
SCHEMBL9059986 0.84 XDH (0.55) XDHPOLA1HTTNCOA1SMN1; SMN2
SCHEMBL28237493 0.80 PNP (0.46) XDHPOLA1PNPPDE5AGDA
SCHEMBL29450710 0.79 XDH (0.44) XDHPOLA1PNPPDE5AGDA
SCHEMBL11270403 0.78 XDH (0.62) XDHPOLA1PNPPDE5ACDK1
SCHEMBL716338 0.78 XDH (0.42) XDHPOLA1HTTNCOA1SMN1; SMN2
SCHEMBL7680703 0.77 XDH (0.60) XDHPOLA1PNPPDE5AGDA
SCHEMBL595204 0.76 PNP (0.57) XDHPNPGDA
Hydrochloric Acid SCHEMBL17186358 0.75 PNP (0.56) XDHPNPGDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0806425-B1 An improved regiospecific process for synthesis of acyclic nucleosides LUPIN LAB LTD (IN) 2001-08-29 EP disclosed
US-6043364-A HEATING THE ISOMER IN AN ALKYLATING AGENT IN ABSENCE OF ACID CATALYST AND SOLVENT LUPIN LABORATORIES LIMITED (IN) 2000-03-28 US disclosed
EP-0976751-A1 A process for the isomerisation of an N-7 isomer into an N-9 isomer useful in the synthesis of acyclic nucleosides LUPIN LABORATORIES LIMITED (IN) 2000-02-02 EP disclosed
US-5821367-A REACTING A DIACYLGUANINE AND AN ALKYLATING AGENT IN THE ABSENCE OF AN ACID CATALYST AND A SOLVENT LUPIN LABORATORIES LIMITED (IN) 1998-10-13 US disclosed
EP-0806425-A1 An improved regiospecific process for synthesis of acyclic nucleosides LUPIN LABORATORIES LIMITED (IN) 1997-11-12 EP disclosed
EP-0806425-A1 An improved regiospecific process for synthesis of acyclic nucleosides LUPIN LABORATORIES LIMITED (IN) 1997-11-12 EP disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 US disclosed