SCHEMBL7489579

SCHEMBL7489579

CCCc1n[c]c2ncn(C)c2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
PDE4A P27815 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7487478 0.92 ADORA2A (0.34) ADORA2AADORA2BADORA1DYRK1APDE4A
SCHEMBL7492084 0.91 ADORA2A (0.35) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL7488641 0.90 ADORA2A (0.34) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL7495203 0.88 CDK1 (0.33) ADORA2AADORA1DYRK1A
SCHEMBL7488235 0.75 DYRK1A (0.35) ADORA2AADORA2BADORA1DYRK1A
SCHEMBL27917687 0.74 CDK1 (0.46) ADORA2AADORA2BADORA1DYRK1AHSD17B10
SCHEMBL7486537 0.73
SCHEMBL7488843 0.70 CNOT7 (0.43) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL7492592 0.70 TSHR (0.45) ADORA2AADORA2BADORA1
SCHEMBL7491743 0.69 TSHR (0.41) ADORA2AADORA2BADORA1HSD17B10

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-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP disclosed