SCHEMBL22014920

SCHEMBL22014920

CCn1nc(C(C)C)cc1CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.34
KAT2B Q92831 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32

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
SCHEMBL10141579 0.80 ADORA2A (0.35) ADORA2AADORA2B
SCHEMBL25917391 0.74 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL20754716 0.74
SCHEMBL25967923 0.73 ADORA2A (0.31) ADORA2AADORA2B
SCHEMBL20754689 0.71 CA2 (0.32)
SCHEMBL12935855 0.70 ADORA2A (0.36) ADORA2AADORA2B
SCHEMBL2737301 0.70 ADORA2A (0.41) ADORA2AADORA2B
SCHEMBL23401945 0.68 ADORA2A (0.35) ADORA2AADORA2B
SCHEMBL17045358 0.68 ADORA2A (0.39) ADORA2AADORA2B
SCHEMBL12126022 0.67 ADORA2A (0.34) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed