SCHEMBL7701707

SCHEMBL7701707

CCOCn1c(N)c(C(N)=S)c2c(N)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.36
ABL1 P00519 5/20 0.36
KDR P35968 5/20 0.36
PIK3CD O00329 4/20 0.36
EGFR P00533 4/20 0.36
HCK P08631 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CB P42338 4/20 0.36
MTOR P42345 4/20 0.36
PIK3CG P48736 4/20 0.36
EPHB4 P54760 4/20 0.36
PRKDC P78527 4/20 0.36
PI4KB Q9UBF8 3/20 0.36
RET P07949 7/20 0.36
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TEK Q02763 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
SCHEMBL8991124 0.87 PI4KB (0.35) SRCABL1KDRPIK3CDEGFR
SCHEMBL8991004 0.86 YTHDC1 (0.31) SRCEGFR
SCHEMBL7703318 0.86 RET (0.39) SRCABL1KDRPIK3CDEGFR
SCHEMBL7700288 0.82 KDM4E (0.44) SRCABL1KDRPIK3CDEGFR
SCHEMBL7701709 0.77 RET (0.36) SRCABL1KDRPIK3CDEGFR
SCHEMBL8991135 0.77 KDM4E (0.35) SRCABL1KDRPIK3CDEGFR
SCHEMBL8991011 0.76 KDM4E (0.49) SRCABL1KDRPIK3CDEGFR
SCHEMBL7697510 0.75 LRRK2 (0.58) SRCABL1KDRPIK3CDEGFR
SCHEMBL7700980 0.74 NPC1 (0.45) SRCABL1KDRPIK3CDEGFR
SCHEMBL8991414 0.74 KDM4E (0.57) SRCABL1KDRPIK3CDEGFR

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