SCHEMBL3379754

SCHEMBL3379754

CCNC(=O)Nc1ccc(Cc2cc(-c3cccc(Cl)c3)c3ncc(C)n3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL3377728 0.90 PDE4D (0.46)
SCHEMBL3380717 0.88 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3378779 0.86 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7928989 0.85 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3381911 0.79 RAB9A (0.39)
SCHEMBL2918713 0.78 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3428353 0.77 RAB9A (0.40)
SCHEMBL3377566 0.74 DYRK3 (0.50)
SCHEMBL3381843 0.74 GPR119 (0.39)
SCHEMBL7932127 0.73 DYRK3 (0.51)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed