SCHEMBL2011832

SCHEMBL2011832

NCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
RAB9A P51151 3/20 0.48
HSP90AA1 P07900 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SLC6A7 Q99884 2/20 0.47
MTOR P42345 1/20 0.43

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
SCHEMBL2012009 0.92 MAPT (0.46) L3MBTL1MAPTKMT2ALMNAHTT
SCHEMBL2015402 0.92 AKR1C3 (0.43) L3MBTL1MAPTKMT2ALMNAHTT
SCHEMBL2012500 0.91 MAPT (0.52) MAPTKMT2ALMNAHTTNPSR1
SCHEMBL2017795 0.87 MEN1 (0.52) L3MBTL1MAPTKMT2ALMNAHTT
SCHEMBL2016546 0.87 KDM4E (0.53) L3MBTL1MAPTKMT2ALMNAHTT
SCHEMBL2013318 0.87 L3MBTL1 (0.53) L3MBTL1MAPTKMT2ALMNAHTT
SCHEMBL2014194 0.85 L3MBTL1 (0.48) L3MBTL1MAPTKMT2ALMNAHTT
SCHEMBL2017545 0.83 GBA1 (0.43) L3MBTL1MAPTKMT2ALMNAHTT
SCHEMBL2017182 0.82 HTT (0.47) L3MBTL1MAPTKMT2ALMNAHTT
SCHEMBL2012195 0.82 ALDH1A1 (0.44) L3MBTL1MAPTKMT2ALMNAHTT

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