SCHEMBL30108054

SCHEMBL30108054

CC(C)(C)OC(=O)N1CCC(COc2ccc3c(c2)nc(Cc2ccncc2)n3-c2cc(-c3ccco3)nc(N)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
CHEK2 O96017 1/20 0.39
HDAC1 Q13547 1/20 0.39
GPR119 Q8TDV5 7/20 0.38
P2RX3 P56373 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
TGFBR1 P36897 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL30108002 0.84 ADORA2A (0.37) ADORA2AADORA1
SCHEMBL30108066 0.79 ADORA2A (0.44) ADORA2AADORA1
SCHEMBL30107964 0.75 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL30108022 0.74 SLC6A2 (0.37) CHEK2ADORA2AADORA1
SCHEMBL30107942 0.73 ADORA2A (0.47) ADORA2AADORA1
SCHEMBL30108006 0.73 CCNA2 (0.36) ADORA2AADORA1
SCHEMBL30108062 0.68 MAPT (0.39) ADORA2AADORA1
SCHEMBL5118901 0.68 CHEK2 (0.56) SLC2A1CHEK2HDAC1GPR119ALOX5AP
SCHEMBL6406782 0.68 SLC2A1 (0.58) SLC2A1CHEK2HDAC1GPR119
SCHEMBL22918743 0.68 CHEK2 (0.52) SLC2A1CHEK2HDAC1GPR119ALOX5AP

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-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed