SCHEMBL7700930

SCHEMBL7700930

N#Cc1cn(Cc2ccc(Cl)cc2)c2ncnc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CFD P00746 1/20 0.43
ADK P55263 1/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRC P12931 4/20 0.41
KDR P35968 3/20 0.41
LCK P06239 2/20 0.41
TEK Q02763 1/20 0.41
RET P07949 2/20 0.40
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
ADORA2A P29274 1/20 0.39
NSD2 O96028 2/20 0.39
NSD3 Q9BZ95 2/20 0.39

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
SCHEMBL7700864 0.89 CFD (0.44) CFDADKMEN1SRCKDR
SCHEMBL7698564 0.89 ADK (0.43) CFDADKCYP1A2MAPK1SRC
SCHEMBL7700385 0.88 ADORA2A (0.52) CFDADKMAPK1MEN1KMT2A
SCHEMBL7701968 0.85 RIPK2 (0.45) CFDADKSRCKDRLCK
SCHEMBL7696329 0.85 ADK (0.41) CFDADKCYP1A2MAPK1MEN1
SCHEMBL19780034 0.85 KLKB1 (0.52) MAPTCFDADKRET
SCHEMBL7701985 0.83 SLC29A1 (0.44) CFDADKMEN1KMT2AADORA2A
SCHEMBL7703250 0.80 CFD (0.42) CFDADKMAPK1TDP1SRC
SCHEMBL18520393 0.78 ADK (0.49) CFDADKSRCKDRLCK
SCHEMBL7702542 0.77 CFD (0.43) CFDADKMAPK1SRCKDR

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