SCHEMBL6869842

SCHEMBL6869842

Nc1cc(C(=O)Nc2ccccc2)cc2nc(-c3ccoc3)nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.48
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
KLK1 P06870 1/20 0.48
PRSS1 P07477 1/20 0.48
MAP3K5 Q99683 1/20 0.47
HDAC2 Q92769 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ADORA2A P29274 6/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
ALDH1A1 P00352 2/20 0.38
P2RY14 Q15391 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL6868100 0.88 ADORA2A (0.44) PLAUADORA2AALDH1A1KDM4EMEN1
SCHEMBL6869746 0.85 PLAU (0.43) PLAUMAP3K5ADORA2AALDH1A1KDM4E
SCHEMBL6863099 0.84 ADORA2A (0.45) MAP3K5ADORA2A
SCHEMBL6871806 0.80 ADORA2A (0.42) ADORA2A
SCHEMBL6870707 0.79 KMT2A (0.43) MAP3K5ADORA2AALDH1A1MAPTKMT2A
SCHEMBL6863096 0.79 SMN1; SMN2 (0.43) ADORA2AALDH1A1KDM4EMAPTHPGD
SCHEMBL6870530 0.78 ADORA2A (0.43) ADORA2AALDH1A1KDM4EMEN1POLB
SCHEMBL6869838 0.78 ADORA2A (0.43) ADORA2AALDH1A1KDM4EMEN1USP2
SCHEMBL6868483 0.78 ADORA2A (0.64) PLAUF2KCNK3KCNK9ADORA2A
SCHEMBL6867554 0.78 ADORA2A (0.63) ADORA2AALDH1A1MEN1POLBMAPT

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