SCHEMBL9738347

SCHEMBL9738347

CNc1nc(NC(C)=O)c2ncn(Cc3ccccc3F)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.61
PDE4B Q07343 7/20 0.61
PDE4C Q08493 7/20 0.61
PDE4D Q08499 7/20 0.61
PDE5A O76074 3/20 0.61
PDE1A P54750 3/20 0.61
PDE1B Q01064 3/20 0.61
PDE1C Q14123 3/20 0.61
PDE3B Q13370 2/20 0.58
PDE3A Q14432 2/20 0.58
YTHDC1 Q96MU7 8/20 0.48
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL9739236 0.88 AXL (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738428 0.88 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9739828 0.88 YTHDC1 (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9739455 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738464 0.78 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11014090 0.78 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL185397 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL29798952 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9739023 0.76 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9739440 0.76 YTHDC1 (0.75) 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
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