SCHEMBL7325779

SCHEMBL7325779

CCCn1cnc(NC2CCCCC2)c2nc(C(C)C)nc1-2.CCc1nc2c(N3CCOCC3)ncn(CC)c-2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CHRM3 P20309 1/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 3/20 0.33
TTK P33981 3/20 0.32
CNR2 P34972 1/20 0.32
ADORA3 P0DMS8 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
KMT2A Q03164 1/20 0.32
AURKB Q96GD4 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
SCHEMBL1388124 0.82 CTSL (0.48) PDE4APDE4BPDE4CPDE4DCHRM3
Hydrochloric Acid SCHEMBL7023573 0.81 CTSL (0.47) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1387953 0.81 CTSL (0.47) PDE4APDE4BPDE4CPDE4DCHRM3
Hydrochloric Acid SCHEMBL7028301 0.80 CTSL (0.46) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1388167 0.79 CHRM3 (0.40) PDE4APDE4BPDE4CPDE4DCHRM3
Hydrochloric Acid SCHEMBL7029936 0.78 CHRM3 (0.39) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL6155689 0.76 NUDT1 (0.40) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL8396714 0.74 CTSL (0.37) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL8978402 0.69 ADORA1 (0.37) CTSLCTSBADORA3AURKBCYP3A4
SCHEMBL5964495 0.67 CTSL (0.47) PDE4APDE4BPDE4CPDE4DCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916673-A1 6-Amino purine derivatives having PDE-IV inhibition activity Euroceltique S.A. (LU) 1999-05-19 EP disclosed
EP-0916672-A1 6-Amino purine derivatives having PDE-IV inhibition activity and intermediates Euroceltique S.A. (LU) 1999-05-19 EP disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed