SCHEMBL7928989

SCHEMBL7928989

CCNC(=O)Nc1ccc(Cc2cc(-c3cccc(Cl)c3)c3nc(C)nn3c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
DYRK3 O43781 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 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
SCHEMBL7932127 0.89 DYRK3 (0.51) DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3378779 0.86 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3380717 0.85 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3379754 0.85 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7928993 0.80 RAB9A (0.41)
SCHEMBL2918713 0.78 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7930902 0.76 XPO1 (0.35) DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3377728 0.75 PDE4D (0.46)
SCHEMBL3377566 0.74 DYRK3 (0.50) DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3378344 0.73 ABL1 (0.39) DYRK3DYRK1ADYRK2DYRK1B

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed