SCHEMBL11016800

SCHEMBL11016800

CCOCN(C)c1ncnc2c1ncn2Cc1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.56
▸ PDE4B Q07343 5/20 0.56
▸ PDE4C Q08493 5/20 0.56
▸ PDE4D Q08499 5/20 0.56
▸ PDE5A O76074 3/20 0.56
▸ PDE1A P54750 3/20 0.56
▸ PDE1B Q01064 3/20 0.56
▸ PDE1C Q14123 3/20 0.56
▸ PDE3B Q13370 2/20 0.56
▸ PDE3A Q14432 2/20 0.56
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 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
SCHEMBL11016023 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL10442451 0.84 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11017499 0.83 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9196954 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11014088 0.80 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11018621 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9194085 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9373694 0.73 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9194840 0.73 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11017101 0.73 PDE4A (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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