SCHEMBL9078544

SCHEMBL9078544

S=c1c2c(ncn2Cc2cccnc2)c2cccnc2n1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.65
PDE4B Q07343 6/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
CTSL P07711 1/20 0.40
CNOT7 Q9UIV1 1/20 0.39
MAPK10 P53779 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL9076980 0.92 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL2278414 0.87 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL29416766 0.87 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL9413163 0.79 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7272788 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL9079411 0.76 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7280534 0.74 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7281912 0.73 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7271255 0.72 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7271311 0.72 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484924-A ANTIALLERGEN, ANTIINFLAMMATORY, ANTIASTHMA KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0614897-A1 IMIDAZONAPHTHYRIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-09-14 EP disclosed