SCHEMBL8057728

SCHEMBL8057728

Nc1ncnc2c1ncn2-n1ncc2cncnc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.44
▸ ADORA1 P30542 8/20 0.44
▸ PI4KA P42356 11/20 0.42
▸ PI4K2B Q8TCG2 11/20 0.42
▸ PI4K2A Q9BTU6 11/20 0.42
▸ PI4KB Q9UBF8 11/20 0.42
▸ ADORA2B P29275 4/20 0.41
▸ EGFR P00533 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.38
▸ SRC P12931 1/20 0.38
▸ KDR P35968 1/20 0.38

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
SCHEMBL4899457 0.77 XDH (0.44) —
SCHEMBL120720 0.76 ADORA2A (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL580610 0.76 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.74 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28410735 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3506547 0.68 ADORA2A (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28553166 0.68 PI4KA (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28560268 0.66 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10460432 0.65 ADORA2A (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL31349161 0.64 AHCY (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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-6143877-A FORMING A TRIPLEX BY CONTACTING DUPLEX NUCLEIC ACID HAVING A TARGET SEQUENCE OF PURINE BASES WITH A OLIGONUCLEOTIDE HAVING AT LEAST ONE GUANINE BASE REPLACED BY 6-AMINO-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4(5H)-ONE EPOCH PHARMACEUTICALS, INC. (US) 2000-11-07 — — US disclosed
WO-1998049180-A1 TRIPLEX FORMING OLIGONUCLEOTIDES INCLUDING PYRAZOLO(3,4-D)PYRIMIDINE BASES EPOCH PHARMACEUTICALS, INC. (US) 1998-11-05 — — WO disclosed
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