SCHEMBL8991067

SCHEMBL8991067

CNc1ncnc2c1c(C#N)c(N)n2Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
GLA P06280 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
LRRK2 Q5S007 2/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CCR9 P51686 2/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL8991189 0.88 LRRK2 (0.52) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL8990982 0.88 GAA (0.42) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL8991158 0.86 KMT2A (0.49) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL8991316 0.85 ALDH1A1 (0.55) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL8991094 0.81 MEN1 (0.37) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL8991400 0.80 MEN1 (0.36) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL8991276 0.80 MEN1 (0.40) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL8991097 0.77 CCR9 (0.37) KDM4EKMT2ALMNAMEN1NPC1
SCHEMBL8991348 0.77 ALDH1A1 (0.44) KDM4EGLAKMT2AALDH1A1GAA
SCHEMBL7701007 0.77 DYRK1A (0.54) KDM4EKMT2ALRRK2MEN1HSD17B10

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