SCHEMBL7047879

SCHEMBL7047879

c1ccc(Oc2ccc(-c3ccn(C4CCNCC4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.47
PLAUR Q03405 1/20 0.46
LCK P06239 2/20 0.46
SRC P12931 2/20 0.46
TEK Q02763 1/20 0.46
ALK Q9UM73 1/20 0.43
MAPK14 Q16539 2/20 0.43
TNK2 Q07912 1/20 0.43
BTK Q06187 2/20 0.42
PAICS P22234 1/20 0.42
LTA4H P09960 1/20 0.41
PIM1 P11309 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL5805292 0.93 PLAUR (0.42) SCN4APLAURLCKSRCTEK
SCHEMBL5804770 0.92 LCK (0.47) SCN4APLAURLCKSRCTEK
SCHEMBL27959668 0.92 LCK (0.47) SCN4APLAURLCKSRCTEK
SCHEMBL22721138 0.89 PLAUR (0.40) SCN4APLAURLCKSRCTEK
SCHEMBL4503250 0.87 PLAUR (0.55) PLAURALKPAICSPIM1GABRA1
SCHEMBL27577918 0.86 SCN4A (0.49) SCN4ALCKSRCTNK2BTK
SCHEMBL29019544 0.85 MAPK14 (0.46) SCN4APLAURALKMAPK14PAICS
SCHEMBL27934510 0.85 BTK (0.44) SCN4ALCKSRCTEKTNK2
SCHEMBL18173591 0.85 BTK (0.44) SCN4ALCKSRCTEKTNK2
SCHEMBL28643229 0.85 PLAUR (0.37) SCN4APLAURLCKSRCTEK

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-116239566-A E3 ubiquitin ligase ligand compound, protein degradation agent developed based on ligand compound and application thereof 标新生物医药科技(上海)有限公司 2023-06-09 CN disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed