SCHEMBL25256593

SCHEMBL25256593

CCCCc1nc2cnc3ccsc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.41
ADORA2B P29275 4/20 0.41
FEN1 P39748 1/20 0.39
USP7 Q93009 1/20 0.39
GLS O94925 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
FAAH O00519 1/20 0.38
MERTK Q12866 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL31270644 1.00 ADORA2A (0.41) ADORA2AADORA2BFEN1USP7GLS
SCHEMBL25819366 0.90 ADORA2A (0.43) ADORA2AADORA2BFEN1USP7GPR119
SCHEMBL31270748 0.87 ADORA2B (0.41) ADORA2BGLSTP53THRBGPR119
SCHEMBL25262168 0.87 ADORA2B (0.41) ADORA2BGLSTP53THRBGPR119
SCHEMBL25819006 0.86 GLS (0.39) GLSGPR119FAAHMERTKLMNA
SCHEMBL31270623 0.86 GLS (0.39) GLSGPR119FAAHMERTKLMNA
SCHEMBL25257290 0.85 GRIN2B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31025935 0.85 GRIN2B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL25818353 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL25301768 0.80 TLR7 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed