SCHEMBL16719955

SCHEMBL16719955

Oc1ccc[c]c1-c1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.53
▸ CLK1 P49759 2/20 0.53
▸ CLK2 P49760 2/20 0.53
▸ CDK5 Q00535 2/20 0.53
▸ DYRK1A Q13627 2/20 0.53
▸ CLK4 Q9HAZ1 2/20 0.53
▸ DYRK1B Q9Y463 2/20 0.53
▸ DYRK3 O43781 1/20 0.53
▸ CLK3 P49761 1/20 0.53
▸ CDK5R1 Q15078 1/20 0.53
▸ DYRK2 Q92630 1/20 0.53
▸ TRPA1 O75762 9/20 0.47
▸ PIM1 P11309 4/20 0.46
▸ AURKB Q96GD4 4/20 0.46
▸ ROCK2 O75116 4/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ ROCK1 Q13464 2/20 0.42

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
SCHEMBL16720362 0.89 FGFR1 (0.55) GSK3BCLK2CDK5DYRK1ACLK4
SCHEMBL16719750 0.77 NPC1 (0.50) GAA
SCHEMBL27663175 0.76 TRPA1 (0.68) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL27663173 0.72 FGFR1 (0.74) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL16719957 0.71 TRPA1 (0.50) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL16720437 0.71 QPCT (0.47) QPCTQPCTLKDM4EMEN1ALDH1A1
SCHEMBL16720494 0.71 TYR (0.46) TRPA1LCKBTKKDM4EMEN1
SCHEMBL2455100 0.70 GSK3B (1.00) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL16720263 0.70 METAP2 (0.50) AURKBROCK2JAK2KDRROCK1
SCHEMBL16720813 0.70 NOS1 (0.42) CDK5CLK4DYRK1BKDRROCK1

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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