SCHEMBL10160975

SCHEMBL10160975

Cc1cccc(-c2cc3c(N4CCOCC4)nc(OCCN4CCOCC4)nc3cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.43
PIK3CA P42336 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
MAPK9 P45984 2/20 0.42
MAPKAPK2 P49137 2/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LRRK2 Q5S007 1/20 0.42
ACHE P22303 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
AKT1 P31749 1/20 0.41
PDE10A Q9Y233 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL424750 0.96 PRKDC (0.43) MTORPIK3CASIGMAR1MAPK9MAPKAPK2
SCHEMBL424865 0.88 MTOR (0.43) MTORPIK3CASTK4STK3LRRK2
SCHEMBL426084 0.88 MTOR (0.43) MTORPIK3CAACHEALDH1A1POLB
SCHEMBL426124 0.88 ALDH1A1 (0.48) MTORPIK3CASIGMAR1ACHEKDM4E
SCHEMBL428680 0.84 PIK3CA (0.47) MTORPIK3CASIGMAR1STK4STK3
SCHEMBL430672 0.83 PIK3CA (0.44) MTORPIK3CASIGMAR1STK4STK3
SCHEMBL425603 0.82 NOS1 (0.50) MTORPIK3CASIGMAR1STK4STK3
SCHEMBL422993 0.79 ACHE (0.49) PIK3CAACHEKDM4EMEN1ALDH1A1
SCHEMBL427063 0.78 LMNA (0.49) MTORPIK3CASTK4STK3LRRK2
SCHEMBL423981 0.78 MKNK1 (0.42) MTORPIK3CASIGMAR1KDM4EMEN1

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-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed