SCHEMBL23029862

SCHEMBL23029862

NNc1nc(Cl)ncc1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MEN1 O00255 1/20 0.33
PIN1 Q13526 3/20 0.33
KDM4E B2RXH2 1/20 0.31
GOT1 P17174 1/20 0.31
S100A9 P06702 1/20 0.30
EGFR P00533 1/20 0.30
BCL6 P41182 1/20 0.30

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
SCHEMBL2265828 0.81 XDH (0.41) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL2401423 0.78 KMT2A (0.46) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL29464288 0.78 KMT2A (0.46) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL21287682 0.77 ALDH1A1 (0.35) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL25695712 0.77 ALDH1A1 (0.54) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL30989056 0.77 ALDH1A1 (0.35) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL24533739 0.77 NUDT1 (0.36) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL1801013 0.76 LMNA (0.39) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL1496403 0.76 TDP1 (0.39) CSNK1A1CLK4ALDH1A1L3MBTL1KMT2A
SCHEMBL19654457 0.75 KMT2A (0.55) CSNK1A1CLK4KMT2A

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-2021032004-A9 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-03-25 WO disclosed
WO-2021032004-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-02-25 WO disclosed