SCHEMBL8991290

SCHEMBL8991290

CNc1ncnc2c1c(C(N)=S)c(N)n2COCCOC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.33
KDR P35968 2/20 0.33
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
NR2F2 P24468 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8991170 0.89 RET (0.31) RETKDRMEN1NPC1NR2F2
SCHEMBL8991004 0.87 YTHDC1 (0.31)
SCHEMBL7703318 0.87 RET (0.39) RETKDR
SCHEMBL8991214 0.82 EGFR (0.38) RETKDRMEN1NPC1NR2F2
SCHEMBL8991298 0.80 RET (0.33) RETKDR
SCHEMBL8991178 0.80 RET (0.31) RETKDRMEN1NPC1NR2F2
SCHEMBL8991164 0.79 LRRK2 (0.40) RETMEN1NPC1NR2F2RAB9A
SCHEMBL7699595 0.78 ADK (0.33) NPC1RAB9A
SCHEMBL8991320 0.77 ALDH1A1 (0.47) MEN1NPC1RAB9AKMT2A
SCHEMBL8991118 0.76 RET (0.38) RET

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