SCHEMBL9705280

SCHEMBL9705280

Nc1nc2[nH]cnc2c(=O)n1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
PNP P00491 1/20 0.35
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
ADORA3 P0DMS8 2/20 0.30

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
SCHEMBL5021633 0.79 PARP1 (0.34) PARP1PNPPDE4APDE4BPDE4C
SCHEMBL9705295 0.78 PNP (0.40) PNPALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1286942 0.76 PDE4A (0.45) PNPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6271651 0.73 PNP (0.37) PNPKDM4EALDH1A1PDE4APDE4B
SCHEMBL18247 0.73 PNP (0.59) PNPKDM4EALDH1A1PDE4APDE4B
SCHEMBL5694185 0.72 NPC1 (0.51) PNPKDM4EHPGDHSD17B10NPC1
SCHEMBL1980958 0.72 PNP (0.57) PNPKDM4EALDH1A1PDE4APDE4B
SCHEMBL8886026 0.71 PNP (0.35) PARP1PNPPDE4APDE4BPDE4C
SCHEMBL3259641 0.71 PNP (0.35) PARP1PNPALDH1A1PDE4APDE4B
SCHEMBL6268523 0.71 ADORA2B (0.53) PNPKDM4EALDH1A1HSD17B10MAPK1

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
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO disclosed