SCHEMBL7572274

SCHEMBL7572274

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

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 7/20 0.49
PNP P00491 1/20 0.34
AKR1B1 P15121 1/20 0.30

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
SCHEMBL7570074 0.94 HPRT1 (0.53) HPRT1PNPAKR1B1
SCHEMBL7570941 0.90 HPRT1 (0.49) HPRT1
SCHEMBL7982326 0.87 HPRT1 (0.51) HPRT1
SCHEMBL7575108 0.87 HPRT1 (0.53) HPRT1AKR1B1
SCHEMBL7568844 0.86 HPRT1 (0.47) HPRT1
SCHEMBL7567133 0.86 HPRT1 (0.57) HPRT1PNP
SCHEMBL7576799 0.85 HPRT1 (0.51) HPRT1PNPAKR1B1
SCHEMBL7567089 0.84 HPRT1 (0.54) HPRT1
SCHEMBL7571914 0.83 HPRT1 (0.49) HPRT1
SCHEMBL7575074 0.82 HPRT1 (0.48) HPRT1

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 4 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
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