SCHEMBL7742864

SCHEMBL7742864

Cc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CS)O3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
HTT P42858 1/20 0.63
PDE4D Q08499 1/20 0.63
PDE3A Q14432 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
NT5E P21589 1/20 0.52
DNMT1 P26358 2/20 0.48
ADRB1 P08588 1/20 0.48
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.46
RNASEL Q05823 1/20 0.45
ENPP1 P22413 1/20 0.45
P2RY1 P47900 1/20 0.45
DNMT3B Q9UBC3 1/20 0.45

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
SCHEMBL13646020 0.91 PNP (0.63) PNPLMNATP53HTTPDE4D
SCHEMBL11949491 0.91 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL6848324 0.91 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL15459906 0.91 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL7111379 0.91 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL17752037 0.88 PNP (0.60) PNPLMNATP53HTTPDE4D
SCHEMBL23547685 0.82 POLB (0.63) PNPLMNATP53HTTPDE4D
SCHEMBL30930806 0.82 POLB (0.63) PNPLMNATP53HTTPDE4D
SCHEMBL25619590 0.82 PNP (0.52) PNPLMNATP53HTTPDE4D
SCHEMBL25619505 0.82 PNP (0.52) PNPLMNATP53HTTPDE4D

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-0929218-A4 P2Y RECEPTOR ANTAGONISTS UNIV NORTH CAROLINA (US) 2001-05-16 EP disclosed
EP-0929218-A2 P2Y RECEPTOR ANTAGONISTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-07-21 EP disclosed
WO-1998018430-A2 P2Y RECEPTOR ANTAGONISTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-05-07 WO disclosed