SCHEMBL8241597

SCHEMBL8241597

CSc1nc(=O)c2cn[nH]c2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.44
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL4627473 0.77 XDH (0.51) XDHALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL24714540 0.76 XDH (0.44) XDHALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3700367 0.74 XDH (0.49) XDHALDH1A1SMN1; SMN2LMNAMAPT
Oxypurinol SCHEMBL8257647 0.73 XDH (0.48) XDHALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL24351056 0.72 XDH (0.44) XDHALDH1A1LMNAMAPTHPGD
SCHEMBL5765249 0.69 HTT (0.41) XDHALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL1847814 0.67 CYP1A2 (0.41) XDHLMNAFGFR1FLT1
SCHEMBL8219126 0.67 NUDT1 (0.37) XDHALDH1A1LMNAKMT2AMAPT
SCHEMBL1132916 0.67 ALDH1A1 (0.44) XDHALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL8407639 0.66

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-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed