SCHEMBL5193733

SCHEMBL5193733

COc1ccc(-c2c(-c3ccco3)nc(N)[nH]c2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ADORA2A P29274 4/20 0.39
ADORA2B P29275 3/20 0.39
ADORA1 P30542 2/20 0.39
PDE2A O00408 3/20 0.39
ATR Q13535 1/20 0.39
DYRK1A Q13627 1/20 0.37
MTOR P42345 1/20 0.37
MAT2A P31153 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
SMPD3 Q9NY59 1/20 0.36

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
SCHEMBL5189442 0.78 XDH (0.48) XDHADORA2AADORA2BADORA1PDE2A
SCHEMBL3456697 0.77 XDH (0.54) XDHCDK5CDK5R1ADORA2AADORA2B
SCHEMBL7146850 0.74 XDH (0.59) XDHCDK5CDK5R1ADORA2AADORA2B
SCHEMBL13575348 0.74 MEN1 (0.47) ADORA2AADORA2BAPOBEC3AAPOBEC3GTDP1
SCHEMBL1255797 0.73 MAPT (0.59) ADORA2AADORA2BADORA1ATRTDP1
SCHEMBL7149792 0.69 XDH (0.59) XDHCDK5CDK5R1ADORA2AADORA1
SCHEMBL3456963 0.67 ADORA2A (0.47) ADORA2AADORA2BADORA1
SCHEMBL6443423 0.66 XDH (0.62) XDHCDK5CDK5R1ADORA2AADORA2B
SCHEMBL3455963 0.66 ADORA2A (0.48) ADORA2AADORA2BADORA1MTORTDP1
SCHEMBL7147925 0.65 ADORA2A (0.48) XDHCDK5CDK5R1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439176-B1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-03-21 EP disclosed
EP-1439176-B1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-03-21 EP disclosed
US-7160892-B2 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI CO., LTD. (JP) 2007-01-09 US disclosed
US-7160892-B2 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI CO., LTD. (JP) 2007-01-09 US disclosed
US-7160892-B2 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI CO., LTD. (JP) 2007-01-09 US disclosed
EP-1439176-A1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2004-07-21 EP disclosed