SCHEMBL16719683

SCHEMBL16719683

Oc1c[c]c(-c2ccncc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
ACVR1 Q04771 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
EGFR P00533 1/20 0.35
QDPR P09417 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL16720559 0.82 MMP3 (0.38) KDM4ERPS6KA3NPC1RAB9A
SCHEMBL16720286 0.73 PDGFRB (0.42) MAP4K4ROCK1DYRK1ACLK4PDGFRB
SCHEMBL28663547 0.69 NPC1 (0.52) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL16719975 0.67 KDM4A (0.32)
SCHEMBL16720591 0.66 TYR (0.47) CDK8DYRK1ADYRK1BKDM4E
SCHEMBL2397171 0.65 MAPT (0.42) PDGFRBPDGFRALMNAMAPTKDM4E
SCHEMBL28326772 0.65 CYP11B1 (0.44) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL16720516 0.63 QDPR (0.36) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL16720650 0.63 QDPR (0.36) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL1960709 0.62 MAPT (0.65) MAP4K4CDK8CLK2CDK7CDK9

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