SCHEMBL7568062

SCHEMBL7568062

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL7567185 0.94 HPRT1 (0.47) HPRT1CYP1A2CYP3A4KMT2AMEN1
SCHEMBL7571914 0.85 HPRT1 (0.49) HPRT1CYP1A2CYP3A4KMT2AMEN1
SCHEMBL7576799 0.85 HPRT1 (0.51) HPRT1KMT2AMEN1LMNA
SCHEMBL7570980 0.84 HPRT1 (0.48) HPRT1CYP1A2CYP3A4KMT2AMEN1
SCHEMBL7570913 0.83 HPRT1 (0.50) HPRT1
SCHEMBL7570961 0.83 HPRT1 (0.46) HPRT1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7570074 0.83 HPRT1 (0.53) HPRT1KMT2AGAAALDH1A1KDM4E
SCHEMBL7575108 0.83 HPRT1 (0.53) HPRT1
SCHEMBL7982326 0.81 HPRT1 (0.51) HPRT1GAAALDH1A1KDM4E
SCHEMBL7980707 0.80 TSHR (0.45) HPRT1KMT2AMEN1NPSR1LMNA

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