SCHEMBL7567095

SCHEMBL7567095

CCNC(=O)CCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.60
HPRT1 P00492 10/20 0.56
PNP P00491 4/20 0.55
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
EDNRA P25101 1/20 0.53
HTR2A P28223 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL7982329 0.88 TK1 (0.57) TK1HPRT1PNPUSP2TSHR
SCHEMBL7575116 0.87 TK1 (0.59) TK1HPRT1PNPUSP2TSHR
SCHEMBL7570078 0.87 TK1 (0.65) TK1HPRT1PNPUSP2TSHR
SCHEMBL7570457 0.87 TK1 (0.56) TK1HPRT1PNPBLM
SCHEMBL7576803 0.85 TK1 (0.60) TK1HPRT1PNP
SCHEMBL7572289 0.84 TK1 (0.60) TK1HPRT1PNPUSP2TSHR
SCHEMBL7589923 0.84 TK1 (0.57) TK1HPRT1PNPUSP2TSHR
SCHEMBL7575081 0.84 TK1 (0.55) TK1HPRT1PNP
SCHEMBL7567140 0.83 PNP (0.64) TK1HPRT1PNPUSP2TSHR
SCHEMBL5250164 0.83 TK1 (0.68) TK1HPRT1PNPUSP2TSHR

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