SCHEMBL17033401

SCHEMBL17033401

CC1(C)c2ccccc2-c2cc(-c3ccnc(-n4c5ccccc5c5cc6cc7c8ccccc8c8ccccc8n7c6cc54)c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL17033511 0.97 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033712 0.86 PDE4A (0.31) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16067109 0.86 KDM4E (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066967 0.85 KDM4E (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066852 0.85 PDK2 (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033642 0.84 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033778 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033423 0.84 KDM4E (0.30)
SCHEMBL17033593 0.82 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033513 0.81 KDM4E (0.31)

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed