SCHEMBL16720139

SCHEMBL16720139

[c]1ccnc(-c2ccc3cc[nH]c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
BRD4 O60885 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
BACE1 P56817 1/20 0.40
AHR P35869 3/20 0.40
CMA1 P23946 1/20 0.40
TYR P14679 1/20 0.40
BRAF P15056 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CHRNA7 P36544 2/20 0.38
KCNH2 Q12809 1/20 0.38
APP P05067 1/20 0.38
PIK3CA P42336 2/20 0.38
PRKDC P78527 2/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37

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
SCHEMBL6640118 0.79 FGFR1 (0.54) DYRK1BPIK3CDABL1SRCKDR
SCHEMBL7260046 0.78 NPC1 (0.46) ADORA2AADORA1BRD4BACE1AHR
SCHEMBL4006504 0.77 CYP1A2 (0.47) NISCH
SCHEMBL18828549 0.75 BACE1 (0.47) ADORA2AADORA1BRD4BACE1AHR
SCHEMBL16720408 0.74 BACE1 (0.42) ADORA2AADORA1BRD4BACE1AHR
SCHEMBL16719552 0.74 S1PR1 (0.41) ADORA2AADORA1BRD4KDM4CBACE1
SCHEMBL27084041 0.73 CCR1 (0.50) BRD4KDM4CAHRCMA1BRAF
SCHEMBL7259815 0.73 NPC1 (0.47) ADORA2AADORA1BRD4AHRCMA1
SCHEMBL16719790 0.72 BRD4 (0.44) ADORA2AADORA1BRD4AHRCMA1
SCHEMBL5756878 0.72 QPCT (0.40) BRD4

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