SCHEMBL30108053

SCHEMBL30108053

COc1ccc2c(c1)nnn2-c1nc(SC)nc(Cl)c1-c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK14 Q16539 2/20 0.35
PDE10A Q9Y233 4/20 0.33
PDE2A O00408 1/20 0.33
TEK Q02763 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL30108060 0.82 MAPT (0.38) LMNAMAPTTSHRHSD17B10PDE10A
SCHEMBL30107966 0.74 TSHR (0.40) LMNAMAPTTSHRHSD17B10PDE10A
SCHEMBL19848195 0.71 ALDH1A1 (0.45) PDGFRBPDGFRALMNAMAPTTSHR
SCHEMBL30107974 0.69 MAPT (0.40) LMNAMAPTTSHRHSD17B10L3MBTL1
SCHEMBL26608053 0.68 L3MBTL1 (0.39) PDGFRBPDGFRAMAPTPDE10APDE2A
SCHEMBL30108010 0.68 ALDH1A1 (0.41) LMNAMAPTTSHRHSD17B10MAPK14
SCHEMBL30107947 0.66 ALDH1A1 (0.42) PDGFRBPDGFRAMAPTHSD17B10MAPK14
SCHEMBL4590708 0.66 L3MBTL1 (0.48) LMNAMAPTTSHRHSD17B10L3MBTL1
SCHEMBL30107975 0.64 L3MBTL1 (0.40) LMNATSHRPDE10APDE2AL3MBTL1
SCHEMBL19848194 0.62 NPC1 (0.60) LMNAMAPTTSHRL3MBTL1ALDH1A1

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