SCHEMBL16720137

SCHEMBL16720137

c1ccn(-c2ccc3cc[nH]c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.42
NUDT1 P36639 1/20 0.42
BRD4 O60885 1/20 0.34
APP P05067 1/20 0.33
CDK8 P49336 1/20 0.33
PARP1 P09874 2/20 0.31
PARP2 Q9UGN5 1/20 0.31
TRPA1 O75762 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
AHR P35869 1/20 0.30
ADK P55263 1/20 0.30

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
SCHEMBL19887491 0.74 AXL (0.53) AXLNUDT1APPPARP1PARP2
SCHEMBL15091185 0.74 ALDH1A1 (0.40) AXLNUDT1PARP1
SCHEMBL3254758 0.73 HTR3E (0.54)
SCHEMBL16417015 0.72 JAK3 (0.44) AXLNUDT1PARP1PARP2
SCHEMBL16417007 0.70 JAK3 (0.45) AXLNUDT1PARP1PARP2
SCHEMBL4975825 0.70 JAK3 (0.45) AXLNUDT1PARP1PARP2
SCHEMBL21178868 0.70 AXL (0.36) AXLNUDT1BRD4APPPARP1
SCHEMBL12672907 0.69 MAPK1 (0.51)
SCHEMBL5413458 0.68 PIK3CA (0.50) PARP1PARP2
SCHEMBL16417018 0.68 HTR3A (0.53) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed