SCHEMBL17294023

SCHEMBL17294023

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCCCC(=O)N2CCNCCNCCNCC2)[C@@H](O)[C@H]1O.[Fe]

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 7/20 0.73
▸ ROCK2 O75116 1/20 0.73
▸ METTL3 Q86U44 1/20 0.67
▸ METTL14 Q9HCE5 1/20 0.67
▸ HSP90B1 P14625 1/20 0.66
▸ AHCY P23526 1/20 0.66

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
SCHEMBL17294035 0.99 PRKACA (0.75) PRKACAROCK2METTL3METTL14HSP90B1
SCHEMBL17294015 0.99 PRKACA (0.75) PRKACAROCK2METTL3METTL14HSP90B1
SCHEMBL17293999 0.98 PRKACA (0.73) PRKACAROCK2METTL3METTL14HSP90B1
SCHEMBL17297714 0.98 PRKACA (0.73) PRKACAROCK2METTL3METTL14HSP90B1
SCHEMBL17294024 0.96 PRKACA (0.70) PRKACAROCK2METTL3METTL14HSP90B1
SCHEMBL17294000 0.96 PRKACA (0.69) PRKACAROCK2METTL3METTL14HSP90B1
SCHEMBL18767580 0.95 PRKACA (0.70) PRKACAROCK2METTL3METTL14HSP90B1
SCHEMBL17294012 0.93 ADORA3 (0.69) PRKACAROCK2METTL3METTL14HSP90B1
Trifluoromethanesulfonic Acid SCHEMBL17293997 0.92 PRKACA (0.64) PRKACAROCK2METTL3METTL14HSP90B1
Trifluoromethanesulfonic Acid SCHEMBL17294018 0.92 PRKACA (0.64) PRKACAROCK2METTL3METTL14HSP90B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015179955-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-03 — — WO disclosed
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