SCHEMBL7326964

SCHEMBL7326964

CC(O)Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ADORA2B P29275 1/20 0.40
XDH P47989 3/20 0.38
GDA Q9Y2T3 2/20 0.35
ACHE P22303 1/20 0.35
ENPP1 P22413 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
CXCR2 P25025 1/20 0.30
RPS6KA3 P51812 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
SCHEMBL9429870 0.81 PDE3B (0.39) MAPTADORA2BXDHGDAACHE
SCHEMBL9430321 0.80 XDH (0.39) MAPTADORA2BXDHALDH1A1CYP3A4
SCHEMBL31438586 0.78 MAPT (0.48) MAPTADORA2BXDHGDAACHE
SCHEMBL541696 0.77 MAPT (0.42) MAPTADORA2BXDHGDAACHE
SCHEMBL1111557 0.77 MAPT (0.36) MAPTADORA2BXDHGDAACHE
SCHEMBL1150739 0.75 XDH (0.47) MAPTADORA2BXDHGDAACHE
SCHEMBL3399435 0.74 MAPT (0.48) MAPTADORA2BXDHGDAACHE
SCHEMBL6347021 0.74 MAPT (0.53) MAPTADORA2BXDHGDAACHE
SCHEMBL9386889 0.73 MAPT (0.44) MAPTADORA2BXDHGDAACHE
SCHEMBL3423321 0.73 MAPT (0.44) MAPTADORA2BXDHGDAACHE

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-0485495-A1 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA Beecham Group p.l.c. (GB) 1992-05-20 EP disclosed
WO-1991001730-A2 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA BEECHAM GROUP PLC (GB) 1991-02-21 WO disclosed
EP-0260127-A2 Xanthine derivatives, their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-03-16 EP disclosed