SCHEMBL1387978

SCHEMBL1387978

CCn1cnc(NCc2ccccc2)c2nc(C(C)C)nc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.44
CDK5 Q00535 1/20 0.44
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.42
TMIGD3 P0DMS9 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CDK2 P24941 2/20 0.40
CCNB2 O95067 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
CTSL P07711 2/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
CACNA1B Q00975 1/20 0.39
PDE2A O00408 1/20 0.39

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 SCHEMBL7027732 0.99 CDK1 (0.43) CDK1CDK5RAB9AKMT2AKDM4E
SCHEMBL8393039 0.88 CDK2 (0.39) CDK1CDK5RAB9AKMT2AKDM4E
SCHEMBL1387987 0.83 SRC (0.41) RAB9AKDM4ENPC1MAPTSRC
SCHEMBL1388063 0.83 CTSL (0.42) CDK1KMT2AADORA2ACTSL
Hydrochloric Acid SCHEMBL7030023 0.82 CTSL (0.41) CDK1KMT2AADORA2ACTSL
Hydrochloric Acid SCHEMBL7025125 0.82 SRC (0.40) SRC
SCHEMBL1388135 0.77 PDE5A (0.51) CDK1RAB9AKDM4ETMIGD3ADORA2A
Hydrochloric Acid SCHEMBL7029736 0.77 PDE5A (0.50) CDK1RAB9AKDM4ETMIGD3ADORA2A
SCHEMBL8397096 0.74 CTSL (0.41) ADORA2AADORA1CTSLPDE4APDE4B
SCHEMBL8000436 0.74 TLR7 (0.38) RAB9AKMT2AKDM4ENPC1MAPT

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 21 patents — showing the first 20. 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-0916673-B1 6-Amino purine derivatives having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 2003-01-29 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
US-5939422-A AN ENZYME INHIBITOR AS BRONCHODILATOR, RELAXANTS, ANTIINFLAMMATORY AGENT FOR TREATING ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, DISEASES ASSOCIATED WITH ABNORMAL HIGH LEVEL OF CYTOKINE EURO-CELTIQUE, S.A. (LU) 1999-08-17 US 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
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-0916673-B1 6-Amino purine derivatives having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 2003-01-29 EP disclosed
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
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-0916672-A1 6-Amino purine derivatives having PDE-IV inhibition activity and intermediates Euroceltique S.A. (LU) 1999-05-19 EP disclosed
EP-0916673-A1 6-Amino purine derivatives having PDE-IV inhibition activity Euroceltique S.A. (LU) 1999-05-19 EP disclosed