SCHEMBL1828928

SCHEMBL1828928

Nc1nc2[nH]cnc2c(=O)n1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.34
PARP1 P09874 2/20 0.33
ADORA3 P0DMS8 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPK3 P27361 1/20 0.31
XDH P47989 1/20 0.31
HBB P68871 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
IP6K1 Q92551 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 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
SCHEMBL3259641 0.81 PNP (0.35) PNPPARP1ADORA3ALDH1A1ABL1
SCHEMBL2051359 0.79 PNP (0.34) PNPPARP1ADORA3ABL1RIN1
SCHEMBL20866 0.79 ATAD2 (0.41) PNPADORA3ALDH1A1HPGDATAD2
SCHEMBL2983845 0.79 PNP (0.34) PNPPARP1ADORA3ABL1RIN1
SCHEMBL1843775 0.79 PNP (0.34) PNPPARP1ADORA3ABL1RIN1
SCHEMBL20576 0.79 PNP (0.34) PNPPARP1ADORA3ABL1RIN1
SCHEMBL1301996 0.77 PNP (0.33) PNPPARP1
SCHEMBL10597939 0.77 PNP (0.33) PNPPARP1ADORA3ATAD2LMNA
SCHEMBL2417369 0.76 IP6K1 (0.32) PNPPARP1ADORA3IP6K1ADORA2A
SCHEMBL3291321 0.76 KDM4E (0.33) PNPPARP1ADORA3ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319856-A1 Methods and compositions for treating hepatitis c virus Idenix (Cayman) Limited (KY) 2011-05-11 EP disclosed