SCHEMBL2013930

SCHEMBL2013930

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
MPI P34949 1/20 0.43
MTOR P42345 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SLC6A7 Q99884 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
SLC6A3 Q01959 1/20 0.41
GBA1 P04062 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL2016804 0.94 SLC6A7 (0.47) RAB9AKMT2AMAPTNPSR1HTT
SCHEMBL2014280 0.92 MEN1 (0.52) KMT2AMAPTHTTMEN1SMN1; SMN2
SCHEMBL2013318 0.92 L3MBTL1 (0.53) RAB9AKMT2AMAPTNPSR1HTT
SCHEMBL2013896 0.88 MAPT (0.52) RAB9AKMT2AMAPTNPSR1HTT
SCHEMBL2015986 0.87 L3MBTL1 (0.48) RAB9AKMT2AMAPTNPSR1HTT
SCHEMBL2015058 0.87 GBA1 (0.45) RAB9AKMT2AMAPTNPSR1HTT
SCHEMBL2015402 0.86 AKR1C3 (0.43) AKR1C3RAB9AKMT2AMAPTNPSR1
SCHEMBL2015083 0.85 ALDH1A1 (0.54) RAB9AKMT2AMAPTNPSR1HTT
SCHEMBL2011899 0.84 ALDH1A1 (0.44) RAB9AKMT2AMAPTNPSR1HTT
SCHEMBL2014402 0.83 ALDH1A1 (0.52) RAB9AKMT2AMAPTNPSR1HTT

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed