SCHEMBL16720088

SCHEMBL16720088

[c]1ccc2sc(-c3c[nH]c4ncccc34)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.44
▸ CDC7 O00311 5/20 0.44
▸ CDK9 P50750 5/20 0.44
▸ MAP4K4 O95819 4/20 0.44
▸ PIM1 P11309 4/20 0.44
▸ PRKACA P17612 4/20 0.44
▸ GSK3B P49841 4/20 0.44
▸ CDK5 Q00535 4/20 0.44
▸ CLK4 Q9HAZ1 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ HIPK2 Q9H2X6 3/20 0.44
▸ DAPK3 O43293 3/20 0.44
▸ CLK2 P49760 3/20 0.44
▸ CDK7 P50613 3/20 0.44
▸ PRKX P51817 3/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ PRKD3 O94806 2/20 0.44
▸ PAK4 O96013 2/20 0.44
▸ CSNK1A1 P48729 2/20 0.44
▸ MAP4K2 Q12851 2/20 0.44

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
SCHEMBL15436363 0.83 DYRK1A (0.57) DYRK1ACDC7CDK9MAP4K4PIM1
SCHEMBL26174486 0.79 TGFBR1 (0.53) DYRK1ACDC7CDK9MAP4K4PIM1
SCHEMBL16719554 0.73 CYP1A1 (0.43) DYRK1ACDC7CDK9MAP4K4PIM1
SCHEMBL16719799 0.72 CDK9 (0.55) DYRK1ACDC7CDK9MAP4K4PIM1
SCHEMBL16719451 0.72 CDC7 (0.45) DYRK1ACDC7CDK9MAP4K4PIM1
SCHEMBL16719998 0.71 PDPK1 (0.45) DYRK1ACDC7CDK9MAP4K4PIM1
SCHEMBL16720350 0.71 CAMKK2 (0.60) DYRK1ACDC7CDK9MAP4K4PIM1
SCHEMBL16719631 0.71 CDC7 (0.51) DYRK1ACDC7CDK9MAP4K4PIM1
SCHEMBL21295850 0.71 KDM4E (0.49) —
SCHEMBL3807944 0.71 HDAC3 (0.50) DYRK1ADYRK1B

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
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