SCHEMBL7574667

SCHEMBL7574667

Nc1nc2c(ncn2CCC(=O)NCc2ccccn2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.52
TK1 P04183 1/20 0.52
HPRT1 P00492 7/20 0.49
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL7398812 0.85 HPRT1 (0.48) PNPHPRT1GLAPOLBMAPT
SCHEMBL17186601 0.82 PNP (0.61) PNPTK1HPRT1USP2TSHR
SCHEMBL7575997 0.82 TK1 (0.51) PNPTK1HPRT1POLBUSP2
SCHEMBL7567095 0.81 TK1 (0.60) PNPTK1HPRT1USP2TSHR
SCHEMBL7575116 0.80 TK1 (0.59) PNPTK1HPRT1USP2TSHR
SCHEMBL7570078 0.80 TK1 (0.65) PNPTK1HPRT1USP2TSHR
SCHEMBL6816235 0.80 PNP (0.71) PNPTK1USP2TSHREDNRA
SCHEMBL7982329 0.79 TK1 (0.57) PNPTK1HPRT1USP2TSHR
SCHEMBL7576803 0.79 TK1 (0.60) PNPTK1HPRT1
SCHEMBL7570457 0.78 TK1 (0.56) PNPTK1HPRT1BLMCYP3A4

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