SCHEMBL11370541

SCHEMBL11370541

CC(C)c1nc2[nH]cnc2cc1-c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
GSK3B P49841 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
DYRK1A Q13627 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPK14 Q16539 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL11368582 0.81 PDE3B (0.55) PDE3BPDE3APIK3CAPIK3CDPIK3CB
SCHEMBL11362214 0.80 PDE3B (0.39) PDE3BPDE3AGSK3BAAK1PIK3CA
SCHEMBL11363187 0.75 PDE3B (0.42) PDE3BPDE3AGSK3BPIK3CAPIK3CD
SCHEMBL11366056 0.74 PDE3B (0.41) PDE3BPDE3AGSK3BMAPK1MAPK14
SCHEMBL11240265 0.73 PDE3B (0.68) PDE3BPDE3AGSK3B
SCHEMBL11375219 0.73 PDE3B (0.41) PDE3BPDE3AGSK3BMAPK1MAPK14
SCHEMBL4059109 0.72 PIK3R1 (0.55) GSK3BPIK3CACDK5CDK5R1
SCHEMBL11238662 0.70 PDPK1 (0.42) PDE3BPDE3AGSK3BMAPK14CLK4
SCHEMBL11379146 0.70 ADORA2A (0.42) PDE3BPDE3AGSK3B
SCHEMBL3786729 0.70 ADORA2A (0.46) PDE3BPDE3APIK3CAPIK3CDPIK3CB

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
US-4276293-A Compositions and their preparation STERLING DRUG INC. (US) 1981-06-30 US disclosed