SCHEMBL25041228

SCHEMBL25041228

N#Cc1ccc(NN)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
GAA P10253 3/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 2/20 0.35
CXCR2 P25025 3/20 0.35
CXCR1 P25024 2/20 0.35
KAT2B Q92831 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LOXL2 Q9Y4K0 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
SCHEMBL20888953 0.83 KDM4E (0.47) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL1161036 0.82 ALDH1A1 (0.59) KDM4EGAAALDH1A1LMNAMEN1
SCHEMBL28200136 0.79 ALDH1A1 (0.43) KDM4EGAAALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL20984507 0.78 KDM4E (0.42) KDM4EGAAALDH1A1LMNAL3MBTL1
Bromide SCHEMBL20984367 0.78 KDM4E (0.42) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL1132796 0.78 PDK1 (0.47) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL1117928 0.78 KDM4E (0.42) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL1117887 0.78 ALDH1A1 (0.42) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL15410380 0.78 CA1 (0.46) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL14582919 0.77 KDM4E (0.54) KDM4EGAAALDH1A1LMNAL3MBTL1

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-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 WO disclosed