SCHEMBL8991164

SCHEMBL8991164

CNc1ncnc2c1c(C#N)c(N)n2COCCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PIK3CD O00329 4/20 0.35
PIK3R2 O00459 3/20 0.35
PIK3CG P48736 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
DYRK1A Q13627 1/20 0.33
RET P07949 2/20 0.33
HSPA8 P11142 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
NR2F2 P24468 1/20 0.31

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
SCHEMBL8991084 0.87 LRRK2 (0.42) LRRK2KDM4EALDH1A1LMNAGLA
SCHEMBL7701687 0.87 LRRK2 (0.54) LRRK2KDM4EALDH1A1LMNAGLA
SCHEMBL8991180 0.81 LRRK2 (0.43) LRRK2KDM4EALDH1A1LMNAGLA
SCHEMBL8991290 0.79 RET (0.33) RETMEN1NPC1NR2F2RAB9A
SCHEMBL8991298 0.76 RET (0.33) RET
SCHEMBL8991178 0.76 RET (0.31) RETMEN1NPC1NR2F2RAB9A
SCHEMBL7703241 0.76 DYRK1A (0.56) LRRK2KDM4EALDH1A1GAAHPGD
SCHEMBL7701250 0.76 ACACB (0.33) ALDH1A1
SCHEMBL8991316 0.76 ALDH1A1 (0.55) LRRK2KDM4EALDH1A1LMNAGLA
SCHEMBL8991158 0.74 KMT2A (0.49) LRRK2KDM4EALDH1A1LMNAGLA

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