SCHEMBL2017390

SCHEMBL2017390

NCCc1cc(Cl)c2cccnc2c1N1CCN(C2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.44
HTR1A P08908 3/20 0.42
DRD4 P21917 2/20 0.42
ADRA2A P08913 1/20 0.42
HTR2A P28223 1/20 0.42
LMNA P02545 5/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NPC1 O15118 2/20 0.40
DRD2 P14416 1/20 0.39
HTT P42858 4/20 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
SCHEMBL2015675 0.97 METAP2 (0.43) METAP2HTR1ADRD4ADRA2AHTR2A
SCHEMBL2012338 0.95 KDM4E (0.42) METAP2HTR1ALMNAKDM4EMAPT
SCHEMBL2018094 0.85 HTR1A (0.43) HTR1ADRD4ADRA2AHTR2ALMNA
SCHEMBL2013361 0.85 METAP2 (0.43) METAP2HTR1ADRD4ADRA2AHTR2A
SCHEMBL2019128 0.84 METAP2 (0.44) METAP2HTR1ALMNAKDM4EMAPT
SCHEMBL2013576 0.82 METAP2 (0.42) METAP2HTR1ADRD4ADRA2AHTR2A
SCHEMBL2016017 0.82 METAP2 (0.45) METAP2HTR1ALMNAKDM4EMAPT
SCHEMBL2018508 0.81 KDM4E (0.43) METAP2HTR1ALMNAKDM4EMAPT
SCHEMBL2016559 0.81 IDE (0.45) METAP2LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL2013467 0.80 SMN1; SMN2 (0.41) METAP2LMNAKDM4EMAPTSMN1; 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