SCHEMBL6872919

SCHEMBL6872919

COC(=O)c1cc(N)n2nc(-c3ccccc3O)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.52
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
ADORA2A P29274 10/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
TOP2A P11388 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7145420 0.85 KDM4A (0.48) KDM4AMAPTMEN1KMT2AALDH1A1
SCHEMBL6871212 0.84 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6870436 0.81 ADORA2A (0.61) MAPTALDH1A1HPGDADORA2ASMN1; SMN2
SCHEMBL6867379 0.80 ADORA2A (0.66) ADORA2AKDM4E
SCHEMBL6872186 0.79 SMN1; SMN2 (0.43) HPGDADORA2ASMN1; SMN2
SCHEMBL6871339 0.79 ADORA2A (0.68) ALDH1A1GAAADORA2ASMN1; SMN2KDM4E
SCHEMBL6867704 0.78 ADORA2A (0.67) ALDH1A1HPGDGAAADORA2ASMN1; SMN2
SCHEMBL6867472 0.78 ADORA2A (0.40) MAPTADORA2A
SCHEMBL6869047 0.78 ADORA2A (0.40) MAPTALDH1A1HPGDADORA2ASMN1; SMN2
SCHEMBL6870583 0.78 ADORA2A (0.66) MAPTMEN1KMT2APOLBALDH1A1

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