SCHEMBL8799489

SCHEMBL8799489

C1CC(c2nc(NC3CC3)nc(N3CCOCC3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.54
PDE4B Q07343 4/20 0.54
PDE4C Q08493 4/20 0.54
PDE4D Q08499 4/20 0.54
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
PIK3CA P42336 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
MTOR P42345 3/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PIK3CB P42338 1/20 0.41
CHRM3 P20309 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 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
SCHEMBL236171 0.94 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DNPSR1
Hydrochloric Acid SCHEMBL9425361 0.93 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL8798834 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL8799001 0.81 LMNA (0.48) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL8050135 0.81 NPSR1 (0.65) PDE4ANPSR1LMNAHPGDPIK3CA
Hydrochloric Acid SCHEMBL9425430 0.80 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DNPSR1
Hydrochloric Acid SCHEMBL9425417 0.80 NPSR1 (0.47) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL11520095 0.80 LMNA (0.51) NPSR1LMNAHPGDPIK3CASMN1; SMN2
SCHEMBL8798987 0.77 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL8471627 0.77 NPSR1 (0.47) PDE4APDE4BPDE4CPDE4DNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527117-B1 Substituted cyclopropylamino-1,3,5-triazines UCB SA (BE) 1997-10-29 EP claimed
US-5348956-A Antiinflammatory and antiasthmatic agents UCB S.A. (BE) 1994-09-20 US claimed
US-5258513-A FOR TREATMENT OF ALZHEIMER'S DISEASE, SENILE DEMENTIA, EVOLUTIVE COGNITIVE PATHOLOGIES, DEPRESSION, ANXIETY, MOOD DISTURBANCES, INFLAMMATION AND ASTHMA UCB S.A. (BE) 1993-11-02 US claimed
EP-0527117-A1 Substituted cyclopropylamino-1,3,5-triazines U C B, S.A. (BE) 1993-02-10 EP claimed
EP-0527117-B1 Substituted cyclopropylamino-1,3,5-triazines UCB SA (BE) 1997-10-29 EP disclosed
US-5348956-A Antiinflammatory and antiasthmatic agents UCB S.A. (BE) 1994-09-20 US disclosed
US-5258513-A FOR TREATMENT OF ALZHEIMER'S DISEASE, SENILE DEMENTIA, EVOLUTIVE COGNITIVE PATHOLOGIES, DEPRESSION, ANXIETY, MOOD DISTURBANCES, INFLAMMATION AND ASTHMA UCB S.A. (BE) 1993-11-02 US disclosed
EP-0527117-A1 Substituted cyclopropylamino-1,3,5-triazines U C B, S.A. (BE) 1993-02-10 EP disclosed