SCHEMBL7372887

SCHEMBL7372887

CCCCOc1cc(Cn2cnc(NCC)c3nc(C(C)C)nc2-3)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TLR8 Q9NR97 4/20 0.36
CASR P41180 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
YTHDC1 Q96MU7 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
SCHEMBL7382537 0.92 TLR7 (0.40) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7379984 0.88 MAPK1 (0.46)
Hydrochloric Acid SCHEMBL7208744 0.87 MAPK1 (0.45)
SCHEMBL7739685 0.87 PGK1 (0.38) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7379329 0.86 PDE4B (0.41) TLR7MAPTPDE4APDE4BPDE4C
SCHEMBL7380803 0.86 CCNB2 (0.41) TLR7YTHDC1
SCHEMBL7382470 0.86 ALDH1A1 (0.38) TLR7TP53MAPT
Hydrochloric Acid SCHEMBL7205605 0.85 CCNB2 (0.40) TLR7YTHDC1
SCHEMBL29623586 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL196243 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541078-A 2002-12-03 JP claimed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
CN-1377353-A Purine derivatives having phosphodiesterase IN inhibition activity EURO CELTIQUE SA (LU) 2002-10-30 CN claimed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP claimed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO claimed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
CN-1377353-A Purine derivatives having phosphodiesterase IN inhibition activity EURO CELTIQUE SA (LU) 2002-10-30 CN disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed