SCHEMBL10869823

SCHEMBL10869823

O=CN1CCN(c2nc(N3CCCCC3)c3nc(-c4ccccc4)c(Cl)nc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.47
PDE4B Q07343 8/20 0.47
PDE4C Q08493 8/20 0.47
PDE4D Q08499 8/20 0.47
L3MBTL1 Q9Y468 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.39
NPY5R Q15761 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
SCHEMBL10869551 0.99 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10869230 0.91 L3MBTL1 (0.47) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10869738 0.90 NPSR1 (0.44) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10870396 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10869218 0.88 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10870512 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10870595 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10869926 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10870587 0.77 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL10868979 0.76 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185259-A2 Pteridines, process for their preparation, and their use as intermediates or as medicaments Dr. Karl Thomae GmbH (DE) 1986-06-25 EP disclosed