SCHEMBL8990531

SCHEMBL8990531

CSc1nc2nc(-c3ccco3)nc-2c(N)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.45
ADORA2A P29274 5/20 0.45
ADORA1 P30542 5/20 0.45
ADORA2B P29275 4/20 0.45
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 4/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
PTPN7 P35236 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SAE1 Q9UBE0 2/20 0.40
UBA2 Q9UBT2 2/20 0.40
GAPDH P04406 1/20 0.40

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
SCHEMBL8990692 0.80 HPGD (0.47) ALDH1A1HSD17B10KMT2APOLBHPGD
SCHEMBL6946402 0.73 ALDH1A1 (0.41) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL27405338 0.73 POLB (0.47) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL8990541 0.71 ADORA2A (0.50) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL3268905 0.70 ALDH1A1 (0.40) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL8990766 0.69 ADORA2A (0.41) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL8990654 0.69 ALDH1A1 (0.45) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL8494359 0.69 ALDH1A1 (0.63) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL25138717 0.67 ALDH1A1 (0.46) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL8990583 0.67 ADORA2A (0.53) ADORA3ADORA2AADORA1ADORA2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500428-A Furyl-substituted purines and adenosine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-03-19 US disclosed
US-5300509-A Adenosine antagonists for treating cardiovascular disorders, vasodilation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-05 US disclosed