SCHEMBL6872068

SCHEMBL6872068

CN(Cc1ccccc1)C(=O)c1cc(N)n2nc(-c3nccs3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
HPGD P15428 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE11A Q9HCR9 1/20 0.37

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
SCHEMBL6871378 0.91 ADORA2A (0.64) ADORA2AL3MBTL1PDE11A
SCHEMBL6863049 0.90 ADORA2A (0.45) ADORA2AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6870657 0.89 ADORA2A (0.50) ADORA2AALDH1A1HPGDHDAC6PDE11A
SCHEMBL6870319 0.86 ADORA2A (0.49) ADORA2AHPGDPDE11A
SCHEMBL6871576 0.85 ADORA2A (0.44) ADORA2AHPGDPDE11A
SCHEMBL6866988 0.84 ADORA2A (0.60) ADORA2AHPGDPDE11A
SCHEMBL6872164 0.84 ADORA2A (0.59) ADORA2AMEN1KMT2AALDH1A1APOBEC3A
SCHEMBL6870506 0.84 ADORA2A (0.55) ADORA2AMEN1KMT2AALDH1A1
SCHEMBL6871912 0.83 ADORA2A (0.60) ADORA2AHPGDPDE11A
SCHEMBL6869917 0.83 ADORA2A (0.58) ADORA2AMEN1KMT2AALDH1A1APOBEC3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed