SCHEMBL7705467

SCHEMBL7705467

COc1ccc(Cn2cc(C(N)=S)c3c(N)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.45
SRC P12931 8/20 0.43
ABL1 P00519 6/20 0.43
ABL2 P42684 5/20 0.43
KDR P35968 4/20 0.42
NSD3 Q9BZ95 1/20 0.41
NPC1 O15118 1/20 0.41
GALR3 O60755 1/20 0.41
S1PR4 O95977 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
RIPK2 O43353 1/20 0.41
TEK Q02763 2/20 0.41
LCK P06239 1/20 0.41
PI4KB Q9UBF8 2/20 0.41
PIK3CD O00329 1/20 0.41

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
SCHEMBL7701895 0.89 EGFR (0.45) EGFRSRCABL1ABL2KDR
SCHEMBL8991089 0.89 EGFR (0.45) EGFRSRCABL1ABL2KDR
SCHEMBL7698503 0.87 HTT (0.43) EGFRSRCABL1KDRNPC1
SCHEMBL7696370 0.84 ADORA2A (0.51) EGFRSRCABL1ABL2KDR
SCHEMBL7704452 0.84 HTT (0.41) SRCABL1NPC1GALR3S1PR4
SCHEMBL7705468 0.79 EGFR (0.43) EGFRSRCABL1ABL2KDR
SCHEMBL8991091 0.79 EGFR (0.43) EGFRSRCABL1ABL2KDR
SCHEMBL7697684 0.79 ADRA1D (0.41) EGFRSRCABL1ABL2NPC1
SCHEMBL8991011 0.78 KDM4E (0.49) EGFRSRCABL1ABL2KDR
SCHEMBL7701968 0.78 RIPK2 (0.45) EGFRSRCABL1ABL2KDR

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