SCHEMBL6869917

SCHEMBL6869917

CN(Cc1ccccc1)C(=O)c1cc(N)n2nc(-c3ccccn3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.58
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F2 P00734 5/20 0.46
F12 P00748 3/20 0.46
APOBEC3A P31941 2/20 0.41
ALDH1A1 P00352 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
F10 P00742 1/20 0.40
KLKB1 P03952 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL6870680 0.90 ADORA2A (0.60) ADORA2AKMT2AF2F12ALDH1A1
SCHEMBL6870369 0.89 ADORA2A (0.61) ADORA2AF2F12
SCHEMBL6868951 0.88 ADORA2A (0.56) ADORA2AF2F12F10KLKB1
SCHEMBL6863726 0.88 ADORA2A (0.56) ADORA2AF2F12ALDH1A1F10
SCHEMBL6870552 0.87 ADORA2A (0.57) ADORA2AF2F12
SCHEMBL6871898 0.87 ADORA2A (0.62) ADORA2AMEN1KMT2AF2F12
SCHEMBL6872164 0.86 ADORA2A (0.59) ADORA2AMEN1KMT2AAPOBEC3AALDH1A1
SCHEMBL6863344 0.86 ADORA2A (0.63) ADORA2AF2F12
SCHEMBL6872326 0.85 ADORA2A (0.57) ADORA2AF2F12
SCHEMBL6873020 0.85 ADORA2A (0.53) ADORA2AF2F12

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