SCHEMBL7574663

SCHEMBL7574663

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
HPRT1 P00492 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
ALOX15 P16050 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHFR P00374 2/20 0.44
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7575993 0.82 ALDH1A1 (0.47) POLBMAPTHPRT1KDM4EMEN1
SCHEMBL7567089 0.80 HPRT1 (0.54) HPRT1USP2HSD17B10
SCHEMBL9798165 0.80 HPRT1 (0.47) HPRT1KDM4EMEN1KMT2AHSD17B10
SCHEMBL7575108 0.79 HPRT1 (0.53) HPRT1
SCHEMBL7570074 0.79 HPRT1 (0.53) HPRT1KDM4EKMT2AHPGDALDH1A1
SCHEMBL7575446 0.79 HPRT1 (0.46) HPRT1
SCHEMBL7982326 0.78 HPRT1 (0.51) GLAMAPTHPRT1KDM4ETDP1
SCHEMBL7576799 0.78 HPRT1 (0.51) HPRT1MEN1KMT2A
SCHEMBL7980833 0.77 HPRT1 (0.45) POLBHPRT1KDM4ECYP2C9ALDH1A1
SCHEMBL7568086 0.77 POLB (0.52) POLBGLACYP1A2CYP3A4CYP2C9

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