SCHEMBL9738525

SCHEMBL9738525

CN(C)c1nc(Cl)nc2c1ncn2Cc1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.54
PDE4B Q07343 7/20 0.54
PDE4C Q08493 7/20 0.54
PDE4D Q08499 7/20 0.54
PDE3B Q13370 3/20 0.54
PDE3A Q14432 3/20 0.54
PDE5A O76074 3/20 0.51
PDE1A P54750 3/20 0.51
PDE1B Q01064 3/20 0.51
PDE1C Q14123 3/20 0.51
YTHDC1 Q96MU7 6/20 0.50
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PDE8A O60658 1/20 0.46

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
SCHEMBL9738569 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739048 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738982 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738116 0.86 ADORA2A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738464 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4517071 0.84 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738920 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10442451 0.81 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739440 0.81 YTHDC1 (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739561 0.77 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP claimed
US-5110818-A Antiepileptic agents CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed