SCHEMBL7624342

SCHEMBL7624342

Nc1nc(F)nc2c1ncn2-n1cnc2c(N)nc(F)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.50
NT5E P21589 2/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
CDK1 P06493 3/20 0.41
CCNB1 P14635 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
CA5A P35218 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
CHKA P35790 1/20 0.38
DNMT1 P26358 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
PI4KB Q9UBF8 3/20 0.35

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
SCHEMBL3328524 0.90 AHCY (0.47) AHCYNT5ELMNAHIF1ACDK1
SCHEMBL17040219 0.82 AHCY (0.49) AHCYNT5ELMNAHIF1ACDK1
SCHEMBL130527 0.81 CDK1 (0.64) AHCYNT5ELMNAHIF1ACDK1
SCHEMBL24434420 0.79 AHCY (0.47) AHCYNT5ELMNAHIF1ACDK1
SCHEMBL27983442 0.79 CDK1 (0.59) AHCYCDK1CCNB1CCNE1CDK2
SCHEMBL24222088 0.78 CDK1 (0.50) AHCYNT5ELMNAHIF1ACDK1
SCHEMBL8433242 0.78 AHCY (0.46) AHCYNT5ELMNAHIF1ACDK1
SCHEMBL14039518 0.77 CDK1 (0.71) AHCYNT5ELMNAHIF1ACDK1
SCHEMBL21451434 0.77 CDK1 (0.71) AHCYNT5ELMNAHIF1ACDK1
SCHEMBL13389895 0.77 PI4KA (0.58) AHCYNT5ELMNAHIF1ACDK1

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
EP-1177202-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2002-02-06 EP disclosed
WO-2000069877-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2000-11-23 WO disclosed