SCHEMBL1387975

SCHEMBL1387975

CCCCCCn1cnc(NC)c2ncnc1-2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2A P29274 1/20 0.38
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
TLR8 Q9NR97 2/20 0.36
NR1I2 O75469 1/20 0.35
CTSL P07711 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
AMPD1 P23109 2/20 0.34
AMPD2 Q01433 1/20 0.34
KDR P35968 5/20 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
Hydrochloric Acid SCHEMBL7327162 0.99 ALDH1A1 (0.39) ALDH1A1TDP1ADORA2ALMNACYP1A2
SCHEMBL1388168 0.87 CTSL (0.39) ALDH1A1TDP1ADORA2ALMNACYP1A2
Hydrochloric Acid SCHEMBL7382272 0.86 CTSL (0.38) ALDH1A1TDP1ADORA2ALMNACYP1A2
SCHEMBL6673868 0.81 ALDH1A1 (0.42) ALDH1A1TDP1ADORA2ALMNACYP1A2
Hydrochloric Acid SCHEMBL7326920 0.80 ADORA2A (0.40) ALDH1A1ADORA2ALMNACYP1A2TSHR
SCHEMBL6672660 0.79 LMNA (0.41) ALDH1A1TDP1ADORA2ALMNACYP1A2
SCHEMBL6673669 0.79 ADORA2A (0.41) ALDH1A1TDP1ADORA2ALMNACYP1A2
SCHEMBL6675408 0.78 LMNA (0.42) ALDH1A1TDP1ADORA2ALMNACYP1A2
SCHEMBL6673899 0.76 ADORA2A (0.44) ALDH1A1TDP1ADORA2ALMNACYP1A2
SCHEMBL1388188 0.75 ADORA2A (0.39) ALDH1A1ADORA2ALMNACTSLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912575-B1 PROCESSES FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2005-02-02 EP claimed
EP-0912575-A4 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2001-04-25 EP claimed
CN-1045778-C Novel chemical compounds having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 1999-10-20 CN claimed
EP-0916673-A1 6-Amino purine derivatives having PDE-IV inhibition activity Euroceltique S.A. (LU) 1999-05-19 EP claimed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP claimed
US-5864037-A Methods for the synthesis of chemical compounds having PDE-IV inhibitory activity EURO-CELTIQUE, S.A. (LU) 1999-01-26 US claimed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO claimed
JP-H09500376-A 1997-01-14 JP claimed
CN-1125445-A Novel compounds having P.DE-IV inhibitory activity EURO CELTIQUE SA (LU) 1996-06-26 CN claimed
EP-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP claimed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 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
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