SCHEMBL2017535

SCHEMBL2017535

O=CCc1cc(F)c2cccnc2c1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NCF1 P14598 1/20 0.37
EPHX2 P34913 1/20 0.36
NMT1 P30419 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
MPI P34949 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLD1 Q13393 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL2016552 0.86 METAP2 (0.43) MAPTSLC6A4HTR2AHTR2CKDM4E
SCHEMBL2013524 0.82 HTR1A (0.42) HTR2AKDM4EALDH1A1HTR1AL3MBTL1
SCHEMBL2018360 0.81 SLC40A1 (0.36) MAPTKDM4EALDH1A1MPIL3MBTL1
SCHEMBL2164802 0.76 L3MBTL1 (0.42) MAPTPRKCQPRKCDSLC6A4HTR2A
SCHEMBL2013917 0.74 METAP2 (0.43) MAPTKDM4EALDH1A1MPIL3MBTL1
SCHEMBL2015833 0.74 KDM4E (0.53) MAPTKDM4EALDH1A1HTR1ASLC6A2
SCHEMBL2017119 0.73 METAP2 (0.42) MAPTKDM4EALDH1A1MPIL3MBTL1
SCHEMBL2015083 0.71 ALDH1A1 (0.54) MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL2018198 0.70 METAP2 (0.41) MAPTKDM4EALDH1A1MPIL3MBTL1
SCHEMBL2014016 0.70 MAPT (0.41) MAPTKDM4EALDH1A1MPIL3MBTL1

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