SCHEMBL6869803

SCHEMBL6869803

Nc1cc(C(=O)NCC2CCCCC2)cc2nc(-c3ccoc3)nn12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK14 Q16539 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
SCHEMBL6863385 0.86 MEN1 (0.47) ADORA2AMEN1KMT2ACA2POLB
SCHEMBL6869838 0.85 ADORA2A (0.43) ADORA2AMEN1KMT2APOLB
SCHEMBL6871448 0.81 ADORA2A (0.65) ADORA2ATDP1
SCHEMBL6863092 0.81 ADORA2A (0.64) ADORA2AMEN1KMT2A
SCHEMBL6863733 0.81 ADORA2A (0.50) ADORA2AMEN1KMT2ACA2
SCHEMBL6869746 0.80 PLAU (0.43) ADORA2AMEN1KMT2APOLB
SCHEMBL6870530 0.80 ADORA2A (0.43) ADORA2AMEN1KMT2APOLBKDR
SCHEMBL6869707 0.79 KIT (0.44) ADORA2AMEN1KMT2ACA2POLB
SCHEMBL6863068 0.79 ADORA2A (0.61) ADORA2AMEN1KMT2ACA2POLB
SCHEMBL6871283 0.78 PTGER2 (0.44) ADORA2AMEN1KMT2APOLB

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