SCHEMBL2015070

SCHEMBL2015070

N#CC1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.40
KDM4E B2RXH2 7/20 0.39
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 6/20 0.39
LMNA P02545 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
TDP1 Q9NUW8 6/20 0.39
RAB9A P51151 6/20 0.39
KMT2A Q03164 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 6/20 0.39
MPI P34949 2/20 0.39
HSP90AA1 P07900 3/20 0.38
NPC1 O15118 5/20 0.37
MEN1 O00255 3/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL2015908 0.94 METAP2 (0.39) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2019128 0.87 METAP2 (0.44) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2018508 0.84 KDM4E (0.43) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2013467 0.83 SMN1; SMN2 (0.41) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2011771 0.83 METAP2 (0.41) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2012338 0.83 KDM4E (0.42) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2011741 0.83 METAP2 (0.42) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2015791 0.83 METAP2 (0.42) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2015395 0.82 MAPT (0.44) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2016017 0.82 METAP2 (0.45) METAP2KDM4EMAPTNPSR1LMNA

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