SCHEMBL16719552

SCHEMBL16719552

[c]1ccnc(-c2ccc3cc[nH]c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
BRD4 O60885 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
AHR P35869 3/20 0.39
CMA1 P23946 1/20 0.39
BRAF P15056 1/20 0.39
TYR P14679 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ENPP2 Q13822 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CHRNA7 P36544 3/20 0.38
KCNH2 Q12809 2/20 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
SCHEMBL18828549 0.80 BACE1 (0.47) S1PR1BRD4PIK3CAMTORPIK3CG
SCHEMBL16719790 0.74 BRD4 (0.44) S1PR1BRD4PIK3CAMTORPIK3CG
SCHEMBL16720139 0.74 ADORA2A (0.42) BRD4KDM4CPIK3CAMTORPIK3CG
SCHEMBL9213361 0.72 MAPT (0.51) S1PR1BRD4KDM4CKDM4EALDH1A1
SCHEMBL16719604 0.71 TYR (0.44) BRD4KDM4CPIK3CAMTORPIK3CG
SCHEMBL29142667 0.70 BRD4 (0.43) S1PR1BRD4PIK3CAMTORPIK3CG
SCHEMBL16720408 0.70 BACE1 (0.42) BRD4PIK3CAMTORPIK3CGAHR
SCHEMBL2460459 0.69 S1PR1 (0.42) S1PR1BRD4PIK3CAMTORPIK3CG
SCHEMBL2463860 0.69 BRD4 (0.49) S1PR1BRD4PIK3CAMTORPIK3CG
SCHEMBL16719829 0.69 BRD4 (0.42) BRD4KDM4CAHRCMA1BRAF

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