SCHEMBL7495122

SCHEMBL7495122

CCCc1nc(N)c2sccc2n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 15/20 0.48
▸ PDE4B Q07343 15/20 0.48
▸ PDE4C Q08493 15/20 0.48
▸ PDE4D Q08499 15/20 0.48
▸ PDE3B Q13370 8/20 0.48
▸ PDE3A Q14432 8/20 0.48
▸ ADORA2A P29274 5/20 0.43
▸ ADORA1 P30542 5/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2B P29275 1/20 0.43

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
SCHEMBL7490709 0.90 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6859886 0.81 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31024298 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6214177 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL31024297 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31745005 0.73 ADORA1 (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL24170311 0.73 ADORA2A (0.50) ADORA2AADORA1ADORA2B
SCHEMBL5065955 0.72 ADORA2A (0.56) ADORA2AADORA1ADORA2B
SCHEMBL3681452 0.71 ADORA2A (0.81) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31744975 0.70 ADORA1 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 — — EP disclosed
CN-1066448-C Amide derivatives OTSUKA PHARMA CO LTD (JP) 2001-05-30 — — CN disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 — — US disclosed
CN-1221419-A Amide derivatives OTSUKA PHARMA CO LTD (JP) 1999-06-30 — — CN disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 — — EP disclosed
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