SCHEMBL14215967

SCHEMBL14215967

C=C(NC1C2CN(C(=O)OC(C)(C)C)CC21)c1ccc(N)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.46
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
USP30 Q70CQ3 3/20 0.39
STS P08842 1/20 0.38
SSTR4 P31391 1/20 0.38
HTR4 Q13639 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL12427424 0.82 USP30 (0.52) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL12426663 0.77 HTR4 (0.56) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL13575604 0.76 USP30 (0.58) PDE4BPDE4APDE4CPDE4DUSP30
SCHEMBL10143889 0.76 USP30 (0.58) PDE4BPDE4APDE4CPDE4DUSP30
SCHEMBL3546076 0.76 HDAC4 (0.52) PDE4BPDE4APDE4CPDE4DUSP30
SCHEMBL15753507 0.75 ALDH1A1 (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL4542499 0.75 ALDH1A1 (0.52) PDE4BHDAC1HDAC2STS
SCHEMBL28608081 0.74 STS (0.54) PDE4BPDE4APDE4CPDE4DSTS
SCHEMBL3314495 0.73 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL12426326 0.73 USP30 (0.46) PDE4BPDE4APDE4CPDE4DUSP30

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-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed