SCHEMBL24322117

SCHEMBL24322117

C=CC(=O)OCCn1cnc2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.60
FGFR1 P11362 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
ADORA1 P30542 2/20 0.57
ADCY5 O95622 3/20 0.54
ADORA2B P29275 1/20 0.53
NSD3 Q9BZ95 5/20 0.53
NSD2 O96028 4/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL29168786 0.87 ADCY5 (0.52) ADORA2AFGFR1SLC22A6ADORA1ADCY5
SCHEMBL2023978 0.79 FGFR1 (0.70) ADORA2AFGFR1SLC22A6ADORA1ADCY5
SCHEMBL11222112 0.76 ADORA2A (0.80) ADORA2AADORA1ADCY5ADORA2BNSD3
SCHEMBL19553564 0.75 ADORA2A (0.61) ADORA2AFGFR1SLC22A6ADORA1ADCY5
SCHEMBL4287683 0.75 ADORA2A (0.64) ADORA2AFGFR1SLC22A6ADORA1ADORA2B
Adefovir SCHEMBL49373 0.73 FGFR1 (1.00) ADORA2AFGFR1SLC22A6ADORA1ADCY5
Adefovir SCHEMBL29365535 0.73 FGFR1 (1.00) ADORA2AFGFR1SLC22A6ADORA1ADCY5
SCHEMBL6045687 0.73 EP300 (0.62) ADORA2AFGFR1SLC22A6ADORA1ADCY5
SCHEMBL15841807 0.73 ADORA2A (0.71) ADORA2AADORA1ADCY5ADORA2BNSD3
SCHEMBL29459142 0.73 ADORA2A (1.00) ADORA2AADORA1ADCY5ADORA2B

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
US-20220107576-A1 RESIN COMPOSITION, TONER FOR DEVELOPING ELECTROSTATIC CHARGE IMAGE, IMAGE FORMING METHOD, PHOTOSENSITIVE ADHESIVE, AND OPTICAL SWITCHING MATERIAL Konica Minolta, Inc. (JP) 2022-04-07 US disclosed