SCHEMBL7572302

SCHEMBL7572302

CC1CCCCN1CCCNC(=O)CCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.48
HPRT1 P00492 9/20 0.46
PNP P00491 3/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL7403497 0.88 HSD17B10 (0.47) HPRT1PNPHSD17B10
SCHEMBL7570970 0.81 TK1 (0.51) TK1HPRT1PNP
SCHEMBL7576803 0.81 TK1 (0.60) TK1HPRT1PNP
SCHEMBL7979444 0.80 HPRT1 (0.52) TK1HPRT1PNP
SCHEMBL7568068 0.80 TK1 (0.52) TK1HPRT1PNP
SCHEMBL7969395 0.79 HPRT1 (0.54) TK1HPRT1PNP
SCHEMBL7982329 0.79 TK1 (0.57) TK1HPRT1PNPHSD17B10
SCHEMBL7575116 0.79 TK1 (0.59) TK1HPRT1PNPHSD17B10
SCHEMBL7570078 0.79 TK1 (0.65) TK1HPRT1PNPHSD17B10
SCHEMBL7567095 0.77 TK1 (0.60) TK1HPRT1PNPHSD17B10

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 3 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