SCHEMBL13524256

SCHEMBL13524256

Nc1ncnc2c1nnn2C1CC1O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 13/20 0.67
▸ ADORA2B P29275 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ DNMT3B Q9UBC3 1/20 0.42
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ PDE8B O95263 1/20 0.41

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
SCHEMBL12149497 0.88 AHCY (0.68) AHCYADORA2BDNMT1DNMT3BPDE8B
SCHEMBL10431839 0.85 AHCY (0.65) AHCY
SCHEMBL14635720 0.84 AHCY (0.71) AHCYADORA2BDNMT1DNMT3B
SCHEMBL20191359 0.81 AHCY (1.00) AHCYADORA2B
SCHEMBL24686947 0.79 ADORA2A (0.54) AHCYADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL21057423 0.79 AHCY (0.71) AHCYADORA2BDNMT1DNMT3BPI4KA
SCHEMBL9679135 0.78 AHCY (0.80) AHCYADORA2BDNMT1DNMT3B
SCHEMBL21057391 0.78 AHCY (0.53) AHCYADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL21057389 0.78 AHCY (0.53) AHCYADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL21057371 0.78 AHCY (0.53) AHCYADORA2BPI4KAPI4K2BPI4K2A

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-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
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