SCHEMBL7953503

SCHEMBL7953503

Cc1cc(NC(=O)c2cn([C@H]3CC[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)c3ncccc3c2=O)sn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.37
KCNH2 Q12809 7/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
RIPK1 Q13546 1/20 0.34
PDE4B Q07343 4/20 0.34
PDE4D Q08499 4/20 0.34
PDE4C Q08493 3/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
ELANE P08246 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR6 P50406 1/20 0.32
TYK2 P29597 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
SCHEMBL7966410 1.00 PDE4A (0.37) PDE4AKCNH2S1PR1S1PR3RIPK1
SCHEMBL8137726 0.86 S1PR1 (0.38) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7954717 0.86 S1PR1 (0.38) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7962924 0.85 ALDH1A1 (0.39) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7954869 0.85 ALDH1A1 (0.39) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7951680 0.85 CNR1 (0.43) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7951678 0.85 CNR1 (0.43) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7960402 0.85 PDE4A (0.43) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7955415 0.85 PDE4A (0.43) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7946366 0.84 PDE4A (0.37) PDE4AKCNH2S1PR1S1PR3PDE4B

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