SCHEMBL2013467

SCHEMBL2013467

NCCc1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
MAPT P10636 7/20 0.41
KDM4E B2RXH2 7/20 0.41
NPSR1 Q6W5P4 7/20 0.41
LMNA P02545 6/20 0.41
TDP1 Q9NUW8 6/20 0.41
RAB9A P51151 6/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
NOD2 Q9HC29 1/20 0.41
METAP2 P50579 3/20 0.40
DHFR P00374 2/20 0.39
HTT P42858 7/20 0.39
NPC1 O15118 4/20 0.39
HSP90AA1 P07900 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL2012282 0.94 MAPT (0.40) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2019128 0.87 METAP2 (0.44) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2013738 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2012631 0.84 MAPT (0.40) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2018508 0.84 KDM4E (0.43) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2015070 0.83 METAP2 (0.40) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2011771 0.83 METAP2 (0.41) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2012338 0.83 KDM4E (0.42) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2015791 0.83 METAP2 (0.42) SMN1; SMN2MAPTKDM4ENPSR1LMNA
SCHEMBL2011741 0.83 METAP2 (0.42) SMN1; SMN2MAPTKDM4ENPSR1LMNA

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