SCHEMBL27773184

SCHEMBL27773184

Nc1ncnc2c1ncn2-n1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.43
▸ ADORA1 P30542 8/20 0.43
▸ STING1 Q86WV6 1/20 0.42
▸ PI4KA P42356 10/20 0.40
▸ PI4K2B Q8TCG2 10/20 0.40
▸ PI4K2A Q9BTU6 10/20 0.40
▸ PI4KB Q9UBF8 10/20 0.40
▸ ADORA2B P29275 4/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ ADORA3 P0DMS8 2/20 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
SCHEMBL2352519 0.82 PNP (0.43) ADORA2AADORA2B
SCHEMBL1831279 0.79 XDH (0.50) STING1
SCHEMBL72147 0.79 XDH (0.50) —
SCHEMBL580610 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1426626 0.77 FDPS (0.34) —
SCHEMBL28413958 0.77 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3474052 0.76 ADORA2A (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8820865 0.75 ADORA2A (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28410735 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2558880 0.72 PI4KA (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109328237-B Inhibitors of PAPD5 and PAPD7 for the treatment of hepatitis b infection 豪夫迈·罗氏有限公司 2022-12-06 — — CN disclosed
CN-107849584-A The electrochemica biological reactor module and engineering metabolic pathway of 1 butanol are produced with high carbon efficiencies 百奥堪引赛股份有限公司 2018-03-27 — — CN disclosed
CN-101507765-B Medicine for treating cerebrovascular disease and sequela thereof and preparation method thereof XIAOFEI DU 2011-03-23 — — CN disclosed
CN-101507765-A Medicine for treating cerebrovascular disease and sequela thereof and preparation method thereof XIAOFEI DU (CN) 2009-08-19 — — CN disclosed
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