SCHEMBL4661802

SCHEMBL4661802

Cn1ccc(N)nc1=O.Cn1cnc2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.65
ADORA1 P30542 6/20 0.65
ADORA2B P29275 3/20 0.43
PI4KA P42356 9/20 0.42
PI4K2B Q8TCG2 9/20 0.42
PI4K2A Q9BTU6 9/20 0.42
PI4KB Q9UBF8 9/20 0.42
CDK1 P06493 1/20 0.42
EGFR P00533 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NSD3 Q9BZ95 1/20 0.39

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
SCHEMBL106573 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL7140260 0.79 ADORA2A (0.96) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL7147821 0.79 ADORA2A (0.96) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1065184 0.78 ADORA2A (0.44) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19929 0.77
SCHEMBL27952255 0.77 PIK3CB (0.41) PI4KAPI4KBLMNA
Iodide SCHEMBL29172953 0.75 PIK3CB (0.40) PI4KAPI4KBLMNA
Hydrochloric Acid SCHEMBL6853659 0.75 PIK3CB (0.40) PI4KAPI4KBLMNA
Adenine SCHEMBL28547223 0.74 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBLMNA
Furan SCHEMBL28428657 0.71 ADORA2A (0.77) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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-2004847-A2 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS Pentabase Aps (DK) 2008-12-24 EP disclosed
WO-2007104318-A2 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS PENTABASE APS (DK) 2007-09-20 WO disclosed