SCHEMBL7698564

SCHEMBL7698564

Cc1ccc(Cn2cc(C#N)c3c(N)ncnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.43
CFD P00746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
SRC P12931 3/20 0.41
LRRK2 Q5S007 3/20 0.40
GAA P10253 1/20 0.39
RET P07949 2/20 0.39
RPS6KA3 P51812 2/20 0.39
RIPK2 O43353 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
DYRK1A Q13627 1/20 0.39
ADORA2A P29274 1/20 0.39
PI4KA P42356 1/20 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
SCHEMBL7700930 0.89 MAPT (0.46) ADKCFDKDM4EMAPK1HTT
SCHEMBL7700864 0.88 CFD (0.44) ADKCFDKDM4EHTTSRC
SCHEMBL7700385 0.87 ADORA2A (0.52) ADKCFDKDM4EMAPK1HTT
SCHEMBL7701968 0.87 RIPK2 (0.45) ADKCFDSRCRIPK2PI4KB
SCHEMBL7696329 0.87 ADK (0.41) ADKCFDKDM4EMAPK1HTT
SCHEMBL7703250 0.86 CFD (0.42) ADKCFDKDM4EMAPK1HTT
SCHEMBL7701985 0.82 SLC29A1 (0.44) ADKCFDADORA2APIK3CDPIK3CA
SCHEMBL7702542 0.81 CFD (0.43) ADKCFDKDM4EMAPK1HTT
SCHEMBL18520393 0.80 ADK (0.49) ADKCFDSRCLRRK2RET
SCHEMBL19780034 0.79 KLKB1 (0.52) ADKCFDRET

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed