SCHEMBL2014194

SCHEMBL2014194

NCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
DRD2 P14416 2/20 0.46
HTR2A P28223 1/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 4/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
NOD2 Q9HC29 1/20 0.45
DPP4 P27487 1/20 0.43
DPP9 Q86TI2 1/20 0.43
HTT P42858 4/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MPI P34949 1/20 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
SCHEMBL2017545 0.90 GBA1 (0.43) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL2012009 0.89 MAPT (0.46) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL2015402 0.87 AKR1C3 (0.43) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL2016546 0.87 KDM4E (0.53) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL2015986 0.86 L3MBTL1 (0.48) L3MBTL1DRD2HTR2AMAPTSMN1; SMN2
SCHEMBL2012835 0.86 ALDH1A1 (0.52) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL2011832 0.85 L3MBTL1 (0.50) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL2017795 0.85 MEN1 (0.52) L3MBTL1MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL2017182 0.83 HTT (0.47) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL2012195 0.83 ALDH1A1 (0.44) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A

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