SCHEMBL28804353

SCHEMBL28804353

NC(=O)c1nccnc1-c1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
GBA1 P04062 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.38
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
TGFBR1 P36897 8/20 0.36
IKBKE Q14164 2/20 0.36
TBK1 Q9UHD2 2/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDR P35968 1/20 0.33
NUDT1 P36639 1/20 0.33

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
SCHEMBL30665045 1.00 CDK5 (0.43) CDK5CDK5R1KDM4CGBA1L3MBTL1
SCHEMBL28462590 0.85 KDM4C (0.50) CDK5CDK5R1KDM4CGBA1L3MBTL1
SCHEMBL30880788 0.85 KDM4C (0.50) CDK5CDK5R1KDM4CGBA1L3MBTL1
SCHEMBL28466298 0.80 L3MBTL1 (0.44) CDK5CDK5R1KDM4CGBA1L3MBTL1
SCHEMBL30362816 0.79 CSNK1A1 (0.42) KDM4CGBA1L3MBTL1PARP1CSNK1A1
Hydrochloric Acid SCHEMBL30363062 0.78 CSNK1A1 (0.41) KDM4CGBA1L3MBTL1PARP1CSNK1A1
SCHEMBL30363113 0.76 KDM4C (0.42) CDK5CDK5R1KDM4CGBA1L3MBTL1
SCHEMBL29696567 0.76 GDA (0.39) L3MBTL1PARP1CSNK1A1TYRO3DYRK1B
SCHEMBL30362903 0.75 KDM4C (0.41) CDK5CDK5R1KDM4CGBA1L3MBTL1
SCHEMBL3468178 0.72 ADORA2A (0.50) L3MBTL1PARP1

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
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN claimed
CN-119504751-A Bifunctional chimeric heterocyclic compound for targeting and degrading androgen receptor and application thereof 海创药业股份有限公司 2025-02-25 CN disclosed