SCHEMBL671963

SCHEMBL671963

CC(C)(C)N(CCCn1cc(N)cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
AR P10275 2/20 0.34
PAICS P22234 1/20 0.34
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ACHE P22303 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HIF1A Q16665 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
SCHEMBL17641372 0.92 L3MBTL1 (0.41) L3MBTL1ARMAPTLMNAALDH1A1
SCHEMBL22366522 0.85 LMNA (0.39) L3MBTL1ARLMNAJAK2JAK1
SCHEMBL21069613 0.84 JAK3 (0.37) L3MBTL1ARJAK3KMT2AMEN1
SCHEMBL21071212 0.84 JAK3 (0.37) L3MBTL1ARJAK3KMT2AMEN1
SCHEMBL21879649 0.80 ALDH1A1 (0.50) L3MBTL1ARMAPTLMNAALDH1A1
SCHEMBL671403 0.75 MAPT (0.39) L3MBTL1PAICSMAPTLMNAJAK2
SCHEMBL4752985 0.73 LMNA (0.38) L3MBTL1MAPTLMNAALDH1A1KMT2A
SCHEMBL15894897 0.73 ALDH1A1 (0.47) L3MBTL1MAPTLMNAALDH1A1KMT2A
SCHEMBL2217595 0.73 FFAR1 (0.52) L3MBTL1PDK2
SCHEMBL16594174 0.72 KIT (0.31) L3MBTL1KMT2AMEN1

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
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed