SCHEMBL7570941

SCHEMBL7570941

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.49
NOS1 P29475 3/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL7572274 0.90 HPRT1 (0.49) HPRT1
SCHEMBL7982326 0.87 HPRT1 (0.51) HPRT1NOS1NOS3NOS2
SCHEMBL7570074 0.87 HPRT1 (0.53) HPRT1
SCHEMBL7575108 0.87 HPRT1 (0.53) HPRT1NOS1NOS3NOS2
SCHEMBL7576799 0.85 HPRT1 (0.51) HPRT1NOS1
SCHEMBL7568844 0.84 HPRT1 (0.47) HPRT1
SCHEMBL7567089 0.84 HPRT1 (0.54) HPRT1NOS1NOS3NOS2
SCHEMBL7571914 0.83 HPRT1 (0.49) HPRT1
SCHEMBL7570980 0.82 HPRT1 (0.48) 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 2 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 disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed