SCHEMBL2711245

SCHEMBL2711245

N#Cc1nccc(N)c1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
LMNA P02545 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CTSK P43235 2/20 0.40
KCNMA1 Q12791 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
NPC1 O15118 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3R1 P27986 1/20 0.39
ADORA2A P29274 1/20 0.39
GAA P10253 3/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL27799123 0.78 KDM4E (0.45) KDM4ELMNAROCK2ROCK1CDC42BPB
SCHEMBL2145134 0.76 LRRK2 (0.42) KDM4ELMNAROCK2ROCK1ALDH1A1
SCHEMBL19949458 0.73 GAA (0.37) KDM4ELMNAROCK2ROCK1CDC42BPB
SCHEMBL6595642 0.72 KDM4E (0.51) KDM4ELMNAALDH1A1HPGDL3MBTL1
SCHEMBL2084217 0.72 ALDH1A1 (0.51) KDM4ELMNAROCK2ROCK1CDC42BPB
SCHEMBL19949436 0.71 ALDH1A1 (0.36) KDM4ELMNAROCK2ROCK1CDC42BPB
SCHEMBL2713859 0.70 LGMN (0.43) KDM4ELMNAALDH1A1HPGDCTSK
SCHEMBL30622679 0.69 KDM4E (0.57) KDM4ELMNAALDH1A1L3MBTL1CTSK
SCHEMBL17583342 0.69 KDM4E (0.57) KDM4ELMNAALDH1A1L3MBTL1CTSK
SCHEMBL19949459 0.68 GAA (0.37) KDM4ELMNAROCK2ROCK1CDC42BPB

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
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed