SCHEMBL7567089

SCHEMBL7567089

CCNC(=O)CCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.54
NOS1 P29475 5/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PAH P00439 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
SCHEMBL7982326 0.88 HPRT1 (0.51) HPRT1NOS1NOS3NOS2
SCHEMBL7575108 0.87 HPRT1 (0.53) HPRT1NOS1NOS3NOS2
SCHEMBL7570074 0.87 HPRT1 (0.53) HPRT1
SCHEMBL7570451 0.87 HPRT1 (0.53) HPRT1NOS1NOS3NOS2USP2
SCHEMBL7575074 0.86 HPRT1 (0.48) HPRT1MAPK1
SCHEMBL7576799 0.85 HPRT1 (0.51) HPRT1NOS1
SCHEMBL7570471 0.84 HPRT1 (0.48) HPRT1MAPK1
SCHEMBL7570941 0.84 HPRT1 (0.49) HPRT1NOS1NOS3NOS2
SCHEMBL7571914 0.84 HPRT1 (0.49) HPRT1USP2
SCHEMBL7570980 0.83 HPRT1 (0.48) HPRT1USP2HSD17B10

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 claimed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO claimed