SCHEMBL7568068

SCHEMBL7568068

Nc1nc2c(ncn2CCC(=O)NCCCN2CCOCC2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.52
HPRT1 P00492 8/20 0.49
PNP P00491 7/20 0.48
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL7567195 0.94 HPRT1 (0.51) TK1HPRT1PNP
SCHEMBL7397889 0.86 MAPK1 (0.49) HPRT1PNPCYP3A4MAPK1
SCHEMBL7576803 0.84 TK1 (0.60) TK1HPRT1PNP
SCHEMBL7570970 0.83 TK1 (0.51) TK1HPRT1PNP
SCHEMBL7575116 0.82 TK1 (0.59) TK1HPRT1PNP
SCHEMBL7570078 0.82 TK1 (0.65) TK1HPRT1PNPCYP3A4
SCHEMBL7980712 0.80 TK1 (0.53) TK1HPRT1PNP
SCHEMBL7982329 0.80 TK1 (0.57) TK1HPRT1PNP
SCHEMBL7572302 0.80 TK1 (0.48) TK1HPRT1PNP
SCHEMBL7396839 0.80 HPRT1 (0.48) HPRT1PNPMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO claimed
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed