SCHEMBL7570970

SCHEMBL7570970

Nc1nc2c(ncn2CCC(=O)NCCCN2CCCC2=O)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.51
HPRT1 P00492 8/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
PNP P00491 7/20 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
SCHEMBL7588294 0.91 HPRT1 (0.48) TK1HPRT1PNP
SCHEMBL5988464 0.86 KMT2A (0.48) HPRT1MEN1LMNAKMT2APNP
SCHEMBL7576803 0.83 TK1 (0.60) TK1HPRT1PNP
SCHEMBL7568068 0.83 TK1 (0.52) TK1HPRT1PNP
SCHEMBL8801193 0.82 KMT2A (0.45) HPRT1MEN1LMNAKMT2APNP
SCHEMBL7575116 0.81 TK1 (0.59) TK1HPRT1PNP
SCHEMBL7570078 0.81 TK1 (0.65) TK1HPRT1MEN1LMNAKMT2A
SCHEMBL7572302 0.81 TK1 (0.48) TK1HPRT1PNP
SCHEMBL7132311 0.81 KMT2A (0.51) MEN1LMNAKMT2A
SCHEMBL7980712 0.80 TK1 (0.53) TK1HPRT1PNP

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