SCHEMBL29623586

SCHEMBL29623586

CCNc1ncn(Cc2ccc(OC)c(OC3CCCC3)c2)c2nc(C(C)C)nc1-2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.52
PDE4B Q07343 20/20 0.52
PDE4C Q08493 20/20 0.52
PDE4D Q08499 20/20 0.52

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
SCHEMBL196243 1.00 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL30543740 0.99 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL154624 0.99 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7380391 0.93 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7378596 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7209404 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL6154541 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7379329 0.90 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7205722 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7023896 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D

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
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed