SCHEMBL7004643

SCHEMBL7004643

O=c1[nH]c(=O)c2c(nc3n2CC=N3)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.39
DPP4 P27487 1/20 0.35
BLM P54132 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ADORA2B P29275 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
PABPC1 P11940 1/20 0.33
ADORA2A P29274 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRDT Q58F21 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 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
SCHEMBL31715084 0.66 POLB (0.42) GDADPP4TDP1KDM4EALDH1A1
SCHEMBL30423047 0.64 KDM4E (0.39) GDADPP4TDP1KDM4EMAPT
SCHEMBL31714747 0.62 TYMP (0.38) GDADPP4ALDH1A1RAB9AHSD17B10
SCHEMBL7004955 0.60 GDA (0.49) GDADPP4BLMTDP1ADORA2B
SCHEMBL4037097 0.60 GDA (0.41) GDADPP4BLMTDP1ADORA2B
SCHEMBL1681856 0.59 GDA (0.44) GDADPP4BLMTDP1ADORA2B
SCHEMBL7018998 0.59 RAB9A (0.32) KDM4ERAB9A
SCHEMBL18989874 0.59 GDA (0.47) GDADPP4BLMTDP1ADORA2B
SCHEMBL16495784 0.58 GDA (0.39) GDADPP4BLMTDP1ADORA2B
SCHEMBL10778633 0.58 GDA (0.42) GDADPP4BLMTDP1ADORA2B

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-1347976-A2 TRICYCLIC PURINE COMPOUNDS AND THEIR ANALOGS AS INHIBIOTRS OF CYTOKINE SIGNALLING CELL THERAPEUTICS, INC. (US) 2003-10-01 EP disclosed
WO-2002068421-A2 TRICYCLIC COMPOUNDS AND THEIR ANALOGS AS INHIBITORS OF CYTOKINE SIGNALING CELL THERAPEUTICS, INC. (US) 2002-09-06 WO disclosed