SCHEMBL7703318

SCHEMBL7703318

COCCOCn1c(N)c(C(N)=S)c2c(N)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 19/20 0.39
KDR P35968 2/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35

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
SCHEMBL8991118 0.88 RET (0.38) RET
SCHEMBL8991290 0.87 RET (0.33) RETKDR
SCHEMBL7701707 0.86 SRC (0.36) RETKDRPIK3CDABL1EGFR
SCHEMBL7700288 0.79 KDM4E (0.44) RETKDRPIK3CDABL1EGFR
SCHEMBL7703321 0.78 RET (0.38) RET
SCHEMBL8991126 0.78 RET (0.36) RETKDR
SCHEMBL7701687 0.77 LRRK2 (0.54) RETPIK3CD
SCHEMBL7700383 0.76 NPC1 (0.43) RETSRC
SCHEMBL8991170 0.76 RET (0.31) RETKDR
SCHEMBL8991011 0.75 KDM4E (0.49) RETKDRPIK3CDABL1EGFR

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