SCHEMBL6206071

SCHEMBL6206071

O=[N+]([O-])c1cccc(-n2ncc3c(O)ncnc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.53
RAB9A P51151 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MAPT P10636 7/20 0.48
NPC1 O15118 4/20 0.48
HPGD P15428 3/20 0.48
GFER P55789 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK14 Q16539 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3867663 0.85 XDH (0.73) XDHRAB9AMEN1KMT2ACASP3
SCHEMBL8339444 0.82 MAPT (0.64) XDHRAB9AMEN1KMT2ACASP3
Hydrochloric Acid SCHEMBL6207051 0.81 MAPT (0.62) XDHRAB9AMEN1KMT2ACASP3
SCHEMBL6205850 0.81 TP53 (0.62) MEN1KMT2AMAPTHPGDHTT
SCHEMBL6207703 0.78 SLC2A1 (0.58) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL6204755 0.78 GSK3B (0.54) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL31000784 0.77 MAPT (0.50) XDHRAB9AMEN1KMT2ACASP3
SCHEMBL31337054 0.77 ALDH1A1 (0.67) XDHRAB9AMEN1KMT2ACASP3
SCHEMBL6282033 0.77 ALDH1A1 (0.67) XDHRAB9AMEN1KMT2ACASP3
SCHEMBL15086955 0.77 RAB9A (0.49) RAB9AMEN1KMT2ACASP3SENP7

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-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed