SCHEMBL2016454

SCHEMBL2016454

COCCN1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.47
MAPT P10636 8/20 0.46
HTT P42858 8/20 0.46
KDM4E B2RXH2 7/20 0.46
LMNA P02545 7/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
TDP1 Q9NUW8 5/20 0.46
MPI P34949 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 5/20 0.44
NPSR1 Q6W5P4 5/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
NOD2 Q9HC29 1/20 0.44
HSP90AA1 P07900 2/20 0.43
NPC1 O15118 4/20 0.41
MEN1 O00255 1/20 0.41
ACHE P22303 1/20 0.39

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
SCHEMBL2020116 0.87 KDM4E (0.62) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2012113 0.85 METAP2 (0.46) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2163681 0.82 METAP2 (0.42) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2011771 0.82 METAP2 (0.41) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2014105 0.82 MAPT (0.50) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2016046 0.82 SMO (0.49) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2018078 0.81 MAPT (0.52) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2016017 0.81 METAP2 (0.45) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2017831 0.81 METAP2 (0.38) METAP2MAPTHTTKDM4ELMNA
SCHEMBL2165170 0.80 HTT (0.44) METAP2MAPTHTTKDM4ELMNA

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