SCHEMBL17033642

SCHEMBL17033642

CC1(C)c2ccccc2-c2cc(-c3ccnc(-n4c5ccccc5c5ccc6cc7c8ccccc8c8ccccc8n7c6c54)c3)ccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL17033778 0.89 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066198 0.86 KDM4E (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033511 0.85 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033494 0.85 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033401 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033706 0.84
SCHEMBL17033648 0.82 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066508 0.82 KDM4E (0.31)
SCHEMBL17033890 0.81 PDK2 (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066674 0.79 KDM4E (0.31) 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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed