SCHEMBL5189285

SCHEMBL5189285

CCn1cc(-c2c(-c3cccc(F)c3)nc(N)n(CC)c2=O)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.47
ADORA2B P29275 11/20 0.47
ADORA1 P30542 11/20 0.47
ADORA3 P0DMS8 1/20 0.47
BRD4 O60885 1/20 0.41
TLR8 Q9NR97 1/20 0.41
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
RPS6KA5 O75582 1/20 0.36

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
SCHEMBL5193776 0.93 ADORA2A (0.46) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL5190711 0.92 ADORA2A (0.46) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL5191409 0.91 ADORA2A (0.44) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL5189470 0.91 ADORA2B (0.47) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL5191300 0.90 ADORA2A (0.42) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL5191092 0.90 BRD4 (0.48) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL5191233 0.89 ADORA2B (0.56) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5189467 0.89 ADORA2A (0.46) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL5189494 0.89 ADORA2B (0.42) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL5191205 0.86 ADORA2A (0.44) ADORA2AADORA2BADORA1ADORA3TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439176-B1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-03-21 EP disclosed
EP-1439176-B1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-03-21 EP disclosed
US-7160892-B2 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI CO., LTD. (JP) 2007-01-09 US disclosed
US-7160892-B2 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI CO., LTD. (JP) 2007-01-09 US disclosed
US-7160892-B2 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI CO., LTD. (JP) 2007-01-09 US disclosed
EP-1439176-A1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2004-07-21 EP disclosed