SCHEMBL6677655

SCHEMBL6677655

COc1ccc(Cn2cnc(=O)c3[nH]c(C(C)C)nc32)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.61
PDE4B Q07343 13/20 0.61
PDE4C Q08493 13/20 0.61
PDE4D Q08499 13/20 0.61
PNP P00491 1/20 0.45
CSF1R P07333 2/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
ROCK2 O75116 1/20 0.39
QPCT Q16769 2/20 0.39
QPCTL Q9NXS2 2/20 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
SCHEMBL6675460 0.91 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6675826 0.91 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6155745 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6675792 0.86 PNP (0.50) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6674156 0.82 PNP (0.53) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL7491119 0.82 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPNP
Hydrochloric Acid SCHEMBL7864182 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6674800 0.80 PNP (0.54) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6673827 0.79 PDE5A (0.46) PDE4APDE4BPDE4CPDE4DPNP
Hydrochloric Acid SCHEMBL7853858 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPNP

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-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed