SCHEMBL2016017

SCHEMBL2016017

NCCc1cc(Cl)c2cccnc2c1N1CC[CH]CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.45
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
KDM4E B2RXH2 6/20 0.43
LMNA P02545 6/20 0.43
TDP1 Q9NUW8 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
NOD2 Q9HC29 1/20 0.43
HTT P42858 6/20 0.42
ALDH1A1 P00352 3/20 0.42
MPI P34949 2/20 0.42
HSP90AA1 P07900 4/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42

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
SCHEMBL2019128 0.86 METAP2 (0.44) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2016713 0.85 METAP2 (0.42) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2012338 0.84 KDM4E (0.42) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2018508 0.83 KDM4E (0.43) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2020116 0.83 KDM4E (0.62) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2053723 0.83 SLC2A1 (0.48) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2014105 0.82 MAPT (0.50) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2015070 0.82 METAP2 (0.40) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2015675 0.82 METAP2 (0.43) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2013467 0.82 SMN1; SMN2 (0.41) METAP2MAPTSMN1; SMN2KDM4ELMNA

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