SCHEMBL13689934

SCHEMBL13689934

BC(B)(C=O)CCNc1ncnc2ccsc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ AURKB Q96GD4 10/20 0.44
▸ PIP4K2C Q8TBX8 1/20 0.44
▸ AURKA O14965 12/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ FADS1 O60427 1/20 0.40

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
SCHEMBL13689812 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13689947 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16508408 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500674 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500671 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13653497 0.79 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13689922 0.78 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500682 0.78 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12609107 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13689921 0.75 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B

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-2009114856-A2 AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-09-17 — — WO disclosed
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