SCHEMBL29922141

SCHEMBL29922141

Cn1cnc(=O)c2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
BRPF1 P55201 2/20 0.38
PRKCI P41743 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
DYRK1A Q13627 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR9 Q9NR96 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 1/20 0.35
TNF P01375 1/20 0.34
AR P10275 1/20 0.34
BRD4 O60885 1/20 0.34
TTR P02766 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
SCHEMBL25339139 0.76 ALDH1A1 (0.33) MAPTKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL29922342 0.74 L3MBTL1 (0.57) MAPTALDH1A1GAAGFERL3MBTL1
SCHEMBL520854 0.74 DYRK1A (0.60) DDB1CRBNPRKCIMAPTKDM4E
SCHEMBL29352067 0.74 ALDH1A1 (0.43) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL1304538 0.74 ALDH1A1 (0.43) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL29922331 0.71 BRPF1 (0.45) DDB1CRBNBRPF1PRKCIMAPT
SCHEMBL212673 0.71 MAPT (0.61) PRKCIMAPTKDM4EALDH1A1GAA
SCHEMBL28960449 0.70 ALDH1A1 (0.45) BRPF1MAPTKDM4EALDH1A1GAA
SCHEMBL27473876 0.69 PRKCI (0.40) DDB1CRBNBRPF1PRKCIMAPT
SCHEMBL31425543 0.69 DYRK1A (0.39) KDM4EDYRK1A

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-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed