SCHEMBL3209670

SCHEMBL3209670

O=c1[nH]c2cccnc2nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.53
FGFR1 P11362 2/20 0.50
FLT1 P17948 2/20 0.50
PARP1 P09874 3/20 0.49
METAP1 P53582 2/20 0.47
METAP2 P50579 1/20 0.47
AURKA O14965 3/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE5A O76074 2/20 0.44
DAO P14920 1/20 0.44
ATAD2 Q6PL18 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PDE2A O00408 1/20 0.42
PDE6D O43924 1/20 0.42
PDE8A O60658 1/20 0.42
PDE9A O76083 1/20 0.42
PDE8B O95263 1/20 0.42
PDE6A P16499 1/20 0.42

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
SCHEMBL1133963 0.79 NUDT1 (0.62) NUDT1FGFR1FLT1PARP1METAP1
SCHEMBL939186 0.79 NUDT1 (0.53) NUDT1FGFR1FLT1PARP1METAP1
SCHEMBL14765145 0.79 NUDT1 (0.53) NUDT1FGFR1FLT1PARP1METAP1
SCHEMBL1427745 0.77 NUDT1 (0.60) NUDT1METAP1METAP2AURKATP53
SCHEMBL10375895 0.75 NUDT1 (0.49) NUDT1FGFR1FLT1PARP1METAP1
SCHEMBL18726171 0.73 FGFR1 (0.65) FGFR1FLT1METAP1METAP2AURKA
SCHEMBL323981 0.73 NUDT1 (0.60) NUDT1FGFR1FLT1METAP1METAP2
SCHEMBL7456831 0.73 PSMB8 (0.53) NUDT1FGFR1FLT1PARP1AURKA
SCHEMBL1170747 0.72 METAP1 (0.72) NUDT1FGFR1FLT1METAP1METAP2
SCHEMBL853992 0.72 PLAUR (0.61) FGFR1TP53SMN1; SMN2KDM4E

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
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed