SCHEMBL16720198

SCHEMBL16720198

CC(=O)c1cn(-c2c[nH]c3ncccc23)c2c[c]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.43
MTNR1A P48039 1/20 0.39
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CAMKK2 Q96RR4 2/20 0.36
PDPK1 O15530 1/20 0.35
TGFBR1 P36897 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.35
AXL P30530 1/20 0.35
CNR2 P34972 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL16719827 0.77 LRRK2 (0.40) MAP2K1CDK2PDPK1TGFBR1IKBKE
SCHEMBL16720005 0.75 LRRK2 (0.40) MAP2K1CDK2PDPK1TGFBR1IKBKE
SCHEMBL16720611 0.73 KCNH2 (0.40) KDM4ELMNATSHRHTTKMT2A
SCHEMBL16720863 0.72 NR4A2 (0.49) KDM4ELMNAKMT2A
SCHEMBL2991525 0.71 MAP2K1 (0.71) MAP2K1MTNR1ACCNE1CDK2CAMKK2
SCHEMBL16720670 0.70 HTR3A (0.36) LMNA
SCHEMBL16719970 0.69 LRRK2 (0.39) MAP2K1CDK2PDPK1TGFBR1IKBKE
SCHEMBL11883907 0.68 MAP2K1 (0.61) MAP2K1MTNR1ACCNE1CDK2KDM4E
SCHEMBL16719653 0.68 KCNH2 (0.38) KDM4ELMNAHTT
SCHEMBL16720366 0.67 KCNH2 (0.47) KMT2A

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