SCHEMBL7380803

SCHEMBL7380803

CCNc1ncn(Cc2ccc(OC)c(O)c2)c2nc(C(C)C)nc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
TLR7 Q9NYK1 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 2/20 0.38
YTHDC1 Q96MU7 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34

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
Hydrochloric Acid SCHEMBL7205605 0.99 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3TLR7
SCHEMBL7378069 0.92 CCNB2 (0.41) CCNB2CDK1CCNB1CCNB3TLR7
SCHEMBL27581623 0.87 TLR7 (0.37) TLR7YTHDC1KMT2A
SCHEMBL7372887 0.86 TLR7 (0.38) TLR7YTHDC1
SCHEMBL7863387 0.86 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3TLR7
SCHEMBL6675454 0.86 ALOX15 (0.43) CCNB2CDK1CCNB1CCNB3ALOX15
SCHEMBL7382537 0.86 TLR7 (0.40) TLR7KDM4EYTHDC1TDP1
SCHEMBL27561114 0.86 TLR7 (0.38) TLR7YTHDC1
Hydrochloric Acid SCHEMBL7860238 0.85 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3TLR7
SCHEMBL7740536 0.85 TLR7 (0.39) CCNB2CDK1CCNB1CCNB3TLR7

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