SCHEMBL3828088

SCHEMBL3828088

CCN(CC)C(=O)c1cn(C(C)(C)C)c2nc(Nc3ccc(C)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
GFER P55789 1/20 0.44
GRM5 P41594 2/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
RET P07949 2/20 0.35
PIK3CA P42336 1/20 0.34
MAPK14 Q16539 1/20 0.34
SYK P43405 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DHFR P00374 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3833975 0.88 RET (0.37) MAPTMAPK1GFERGRM5RET
SCHEMBL3828097 0.86 RAB9A (0.41) KDM4E
SCHEMBL5821098 0.84 MAPK1 (0.41) MAPTMAPK1ALDH1A1HPGDRET
SCHEMBL3833011 0.82 MAPT (0.37) MAPTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL5822553 0.82 PTK2 (0.38) MAPK1RETPIK3CAMAPK14SYK
SCHEMBL3830189 0.81 MAPT (0.37) MAPTGRM5MEN1ALDH1A1HPGD
SCHEMBL3833160 0.80 RET (0.38) GRM5RETSYKKDM4EDHFR
SCHEMBL5822946 0.80 SMN1; SMN2 (0.38) MAPTMAPK1MEN1ALDH1A1HPGD
SCHEMBL4794491 0.78 RET (0.36) MAPTGRM5ALDH1A1KMT2ARET
SCHEMBL3827682 0.78 CCNE1 (0.42) MAPTALDH1A1RET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed