SCHEMBL7701973

SCHEMBL7701973

N#Cc1cn(CCc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.54
LRRK2 Q5S007 2/20 0.49
ABCC1 P33527 6/20 0.47
ADORA1 P30542 1/20 0.45
SRC P12931 4/20 0.45
KDM4E B2RXH2 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
LCK P06239 2/20 0.43
TEK Q02763 1/20 0.43
IGF1R P08069 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41

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
SCHEMBL7699602 0.93 ABCC1 (0.48) ADORA2ALRRK2ABCC1ADORA1SRC
SCHEMBL7695185 0.88 ADORA2A (0.41) ADORA2ALRRK2ABCC1SRCKDM4E
SCHEMBL7700385 0.87 ADORA2A (0.52) ADORA2ALRRK2ABCC1ADORA1SRC
SCHEMBL7695186 0.86 MAP4K4 (0.42) ADORA2ALRRK2SRCPIK3CDPIK3CA
SCHEMBL7696326 0.82 LRRK2 (0.44) ADORA2ALRRK2SRCKDM4EPIK3CD
SCHEMBL7695786 0.77 PIK3CD (0.47) LRRK2SRCKDM4EPIK3CDPRKDC
SCHEMBL18520393 0.77 ADK (0.49) ADORA2ALRRK2ADORA1SRCPIK3CD
SCHEMBL7701506 0.77 ADORA2A (0.53) ADORA2AADORA1SRCKDM4EPIK3CD
SCHEMBL7701013 0.77 ADORA2A (0.53) ADORA2AADORA1SRCPIK3CDPIK3CA
SCHEMBL7703250 0.76 CFD (0.42) ADORA2ALRRK2SRCKDM4EPIK3CD

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed