SCHEMBL7028813

SCHEMBL7028813

CC(C)Nc1ncn(Cc2ccccc2)c2ncnc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
ADORA2A P29274 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TNF P01375 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
YTHDC1 Q96MU7 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
SCHEMBL1388236 0.85 PDE4A (0.52) HTTALDH1A1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7326513 0.84 PDE4A (0.51) HTTALDH1A1PDE4APDE4BPDE4C
SCHEMBL1387903 0.83 ALDH1A1 (0.43) HTTALDH1A1PDE4APDE4BPDE4C
SCHEMBL6675394 0.77 ADORA2A (0.46) HTTALDH1A1PKMPDE4APDE4B
3-Benzyladenine SCHEMBL5352368 0.75 ADORA2A (0.56) HTTALDH1A1PKMLMNAPDE4A
SCHEMBL6673660 0.75 ADORA2A (0.46) HTTALDH1A1PKMLMNASMN1; SMN2
SCHEMBL10576491 0.73 KMT2A (0.46) HTTALDH1A1LMNANPSR1GAA
SCHEMBL21121655 0.72 SMN1; SMN2 (0.55) HTTALDH1A1HPGDLMNANPSR1
SCHEMBL1388057 0.71 KCNH2 (0.43) HTTALDH1A1LMNASMN1; SMN2CYP11B1
Hydrochloric Acid SCHEMBL7740547 0.70 KCNH2 (0.42) HTTALDH1A1LMNASMN1; SMN2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916673-B1 6-Amino purine derivatives having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 2003-01-29 EP disclosed
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 disclosed
EP-0705265-B1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 1999-07-28 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
EP-0916673-A1 6-Amino purine derivatives having PDE-IV inhibition activity Euroceltique S.A. (LU) 1999-05-19 EP disclosed
EP-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed