SCHEMBL11018617

SCHEMBL11018617

CC1(Nc2ncnc3c2ncn3Cc2ccccc2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 0.71
▸ PDE4B Q07343 8/20 0.71
▸ PDE4C Q08493 8/20 0.71
▸ PDE4D Q08499 8/20 0.71
▸ PDE5A O76074 3/20 0.71
▸ PDE1A P54750 3/20 0.71
▸ PDE1B Q01064 3/20 0.71
▸ PDE1C Q14123 3/20 0.71
▸ PDE3B Q13370 2/20 0.71
▸ PDE3A Q14432 2/20 0.71
▸ HTT P42858 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ TMIGD3 P0DMS9 2/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
Bw-A78U SCHEMBL1883213 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11016188 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE5A
Bw-A78U SCHEMBL11014914 0.82 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11017101 0.81 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11015884 0.81 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11017458 0.80 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11016220 0.79 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11014070 0.79 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11015745 0.79 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9191632 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A

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
EP-0157637-A2 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1985-10-09 — — EP claimed
EP-0157637-A2 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1985-10-09 — — EP disclosed
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