SCHEMBL30291834

SCHEMBL30291834

Nc1nc2c(N)cccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NUDT1 P36639 4/20 0.54
ALDH1A1 P00352 2/20 0.52
MASP2 O00187 1/20 0.52
AOC3 Q16853 1/20 0.52
CDK5 Q00535 7/20 0.47
CDK5R1 Q15078 7/20 0.47
CHEK1 O14757 1/20 0.45
ULK1 O75385 1/20 0.45
CDK7 P50613 1/20 0.45
PRKCE Q02156 1/20 0.45
CAMK2G Q13555 1/20 0.45
DYRK1A Q13627 1/20 0.45
RPS6KA1 Q15418 1/20 0.45

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
SCHEMBL3287778 1.00 MEN1 (0.58) MEN1KMT2AGAAMAPTPOLB
Benzimidazole SCHEMBL7255238 0.82 NUDT1 (0.49) MEN1KMT2AGAAMAPTPOLB
SCHEMBL9187595 0.79 MAPT (0.54) MEN1KMT2AGAAMAPTPOLB
SCHEMBL1013125 0.79 PARP1 (0.59) MEN1KMT2AGAAMAPTPOLB
SCHEMBL6118216 0.79 GAA (0.54) MEN1KMT2AGAAMAPTPOLB
SCHEMBL14222708 0.79 NUDT1 (0.51) MEN1KMT2AGAANUDT1ALDH1A1
SCHEMBL727228 0.79 MGAM (0.53) MEN1KMT2AGAANUDT1ALDH1A1
SCHEMBL17276083 0.79 NUDT1 (0.51) MEN1KMT2AGAAMAPTPOLB
SCHEMBL215756 0.79 NUDT1 (0.70) MEN1KMT2AGAANUDT1ALDH1A1
SCHEMBL17276019 0.79 NUDT1 (0.51) MEN1KMT2ANUDT1ALDH1A1MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119074684-A Drug delivery nano vesicle based on self-activated T cell membrane, preparation method and application 重庆医科大学附属第一医院 2024-12-06 CN disclosed
CN-119074684-A Drug delivery nano vesicle based on self-activated T cell membrane, preparation method and application 重庆医科大学附属第一医院 2024-12-06 CN disclosed
WO-2023053039-A1 NOVEL DIAMINOBENZIMIDAZOLE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2023-04-06 WO disclosed
WO-2023053039-A1 NOVEL DIAMINOBENZIMIDAZOLE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2023-04-06 WO disclosed