SCHEMBL11368582

SCHEMBL11368582

Cc1nc2[nH]cnc2cc1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.55
PDE3A Q14432 12/20 0.55
MAPK14 Q16539 1/20 0.38
DYRK1A Q13627 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL11370541 0.81 PDE3B (0.36) PDE3BPDE3AMAPK14DYRK1APIK3CD
SCHEMBL11363187 0.79 PDE3B (0.42) PDE3BPDE3AMAPK14DYRK1APIK3CD
SCHEMBL11362214 0.77 PDE3B (0.39) PDE3BPDE3AMAPK14PIK3CDPIK3CA
SCHEMBL11366056 0.77 PDE3B (0.41) PDE3BPDE3AMAPK14MAPK1CLK4
SCHEMBL11375219 0.76 PDE3B (0.41) PDE3BPDE3AMAPK14MAPK1CLK4
SCHEMBL3786729 0.74 ADORA2A (0.46) PDE3BPDE3AMAPK14DYRK1APIK3CD
SCHEMBL3796976 0.73 PTK2 (0.45) PDE3BPDE3AMAPK14PIK3CDPIK3CA
SCHEMBL4059109 0.73 PIK3R1 (0.55) PIK3CACDK5CDK5R1
SCHEMBL4059301 0.73 ADORA3 (0.49) MAPK14PIK3CACLK4ALDH1A1LMNA
SCHEMBL12256900 0.72 ALDH1A1 (0.34) PDE3BPDE3AKDM4EALDH1A1MAPT

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