SCHEMBL9739455

SCHEMBL9739455

CNc1nc(N)c2ncn(Cc3ccccc3F)c2n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.62
PDE4B Q07343 7/20 0.62
PDE4C Q08493 7/20 0.62
PDE4D Q08499 7/20 0.62
PDE5A O76074 3/20 0.62
PDE1A P54750 3/20 0.62
PDE1B Q01064 3/20 0.62
PDE1C Q14123 3/20 0.62
PDE3B Q13370 2/20 0.59
PDE3A Q14432 2/20 0.59
ADORA2A P29274 5/20 0.52
ADORA1 P30542 5/20 0.52
TMIGD3 P0DMS9 4/20 0.50
YTHDC1 Q96MU7 4/20 0.50
ADORA2B P29275 2/20 0.50
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
SCHEMBL9739623 0.88 ADORA2A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738428 0.87 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738479 0.87 AXL (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738444 0.86 YTHDC1 (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738464 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11014090 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738574 0.84 ADORA2A (0.66) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7204756 0.83 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL19539674 0.82 TLR7 (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3128315 0.82 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 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