SCHEMBL2053723

SCHEMBL2053723

NCCc1cc(Cl)c2cccnc2c1N1CCN(c2ccccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
HTR1A P08908 2/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
LMNA P02545 7/20 0.45
KDM4E B2RXH2 6/20 0.45
TDP1 Q9NUW8 6/20 0.45
HTT P42858 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 2/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NPC1 O15118 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 0.84 METAP2 (0.44) HTR1ALMNAKDM4ETDP1HTT
SCHEMBL2016546 0.83 KDM4E (0.53) LMNAKDM4ETDP1HTTSMN1; SMN2
SCHEMBL2016017 0.83 METAP2 (0.45) HTR1ALMNAKDM4ETDP1HTT
SCHEMBL2016713 0.83 METAP2 (0.42) HTR1ALMNAKDM4ETDP1HTT
SCHEMBL2012338 0.82 KDM4E (0.42) HTR1ALMNAKDM4ETDP1HTT
SCHEMBL2020116 0.81 KDM4E (0.62) HTR1ALMNAKDM4ETDP1HTT
SCHEMBL2014105 0.80 MAPT (0.50) LMNAKDM4ETDP1HTTSMN1; SMN2
SCHEMBL2015675 0.80 METAP2 (0.43) HTR1AHTR2ALMNAKDM4ETDP1
SCHEMBL2013467 0.80 SMN1; SMN2 (0.41) LMNAKDM4ETDP1HTTSMN1; SMN2
SCHEMBL2012009 0.80 MAPT (0.46) LMNAKDM4ETDP1HTTSMN1; SMN2

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