SCHEMBL24672488

SCHEMBL24672488

CONc1nc(Cl)nc2[nH]ncc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 5/20 0.58
PAK4 O96013 4/20 0.58
PDE2A O00408 1/20 0.44
PDPK1 O15530 2/20 0.39
HTR2C P28335 4/20 0.38
HTR2A P28223 4/20 0.38
MKNK1 Q9BUB5 2/20 0.36
LCK P06239 1/20 0.35
BTK Q06187 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL30009126 0.85 PLK4 (0.45) PLK4PAK4PDE2A
SCHEMBL130504 0.82 PLK4 (0.57) PLK4PAK4PDE2APDPK1HTR2C
SCHEMBL8095697 0.80 PLK4 (0.55) PLK4PAK4PDE2APDPK1HTR2C
SCHEMBL30861057 0.78 PLK4 (0.54) PLK4PAK4PDE2APDPK1HTR2C
SCHEMBL29564085 0.77 PLK4 (0.46) PLK4PAK4PDE2ABTK
SCHEMBL16052607 0.77 PLK4 (0.46) PLK4PAK4PDE2ABTK
SCHEMBL22282188 0.76 ALDH1A1 (0.59) PLK4PAK4PDE2AHTR2CHTR2A
SCHEMBL22282069 0.74 HPGDS (0.61) PLK4PAK4PDE2AHTR2CHTR2A
SCHEMBL29705692 0.74 HPGDS (0.61) PLK4PAK4PDE2AHTR2CHTR2A
SCHEMBL61883 0.74 PLK4 (0.53) PLK4PAK4PDE2APDPK1HTR2C

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-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 WO disclosed