SCHEMBL7960552

SCHEMBL7960552

CC(C)(C)NC(=O)c1cn([C@H]2CC[C@H](O)CC2)c2ncccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.48
PDE4B Q07343 4/20 0.48
PDE4D Q08499 4/20 0.48
PDE4C Q08493 3/20 0.48
KCNH2 Q12809 9/20 0.42
TYK2 P29597 1/20 0.40
PKM P14618 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR3A P46098 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7960556 1.00 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7963664 0.85 KCNH2 (0.55) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7963667 0.85 KCNH2 (0.55) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7963124 0.83 KDM4E (0.51) PDE4AKCNH2PKM
SCHEMBL7963122 0.83 KDM4E (0.51) PDE4AKCNH2PKM
SCHEMBL7960143 0.83 KCNH2 (0.51) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7960140 0.83 KCNH2 (0.51) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7960402 0.83 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7955415 0.83 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7962005 0.82 CNR1 (0.48) PDE4APDE4BPDE4DPDE4CKCNH2

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
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed