SCHEMBL30108063

SCHEMBL30108063

COc1ccc2c(c1)nc(-c1ccncc1)n2-c1cc(-c2ccco2)nc(SC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
MCL1 Q07820 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
THRB P10828 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK10 P53779 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 4/20 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
SCHEMBL30108043 0.87 ADORA2A (0.41) KDM4EALDH1A1MAPTRAB9AMCL1
SCHEMBL30108062 0.86 MAPT (0.39) KDM4EALDH1A1MAPTRAB9AMCL1
SCHEMBL30108066 0.73 ADORA2A (0.44) KDM4EALDH1A1MAPTRAB9AMCL1
SCHEMBL30107952 0.73 ADORA2A (0.41) KDM4EALDH1A1RAB9AHTTMAPK10
SCHEMBL30108049 0.72 TSHR (0.45) KDM4EALDH1A1RAB9AHPGDHTT
SCHEMBL30108034 0.71 ALDH1A1 (0.37) KDM4EALDH1A1MAPTRAB9AMCL1
SCHEMBL30108022 0.71 SLC6A2 (0.37) MAPK10ADORA2AADORA1
SCHEMBL21642883 0.71 MAPK10 (0.63) MAPK10
SCHEMBL21642831 0.70 MAPK10 (0.49) MAPK10PIK3CDPIK3CA
SCHEMBL21642869 0.68 MAPK10 (0.54) TDP1MAPK10PIK3CA

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