SCHEMBL27730809

SCHEMBL27730809

CC(C)(C)C(=O)ON1CCN(c2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RBP4 P02753 2/20 0.38
NPY2R P49146 2/20 0.38
THRB P10828 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
GFER P55789 1/20 0.37
YWHAG P61981 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 2/20 0.37
WDR5 P61964 1/20 0.37
HTT P42858 1/20 0.36
TTR P02766 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
CYP3A4 P08684 1/20 0.36
SLC9A1 P19634 1/20 0.36

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
SCHEMBL27648774 0.86 PHGDH (0.46) MAPTRBP4NPY2RKDM4EMEN1
SCHEMBL27666678 0.85 MAPT (0.50) MAPTTHRBKDM4EMEN1ALOX15
SCHEMBL27748488 0.84 MAPT (0.54) MAPTSMN1; SMN2NPY2RTHRBKDM4E
SCHEMBL27944975 0.84 MAPT (0.52) MAPTSMN1; SMN2NPY2RTHRBKDM4E
SCHEMBL265716 0.81 NR1H2 (0.51) MAPTTP53SMN1; SMN2NPY2RNR1H2
SCHEMBL29665792 0.81 NR1H2 (0.51) MAPTTP53SMN1; SMN2NPY2RNR1H2
SCHEMBL28334260 0.81 NR4A1 (0.43) MAPTSMN1; SMN2NPY2RTHRBKDM4E
SCHEMBL27769725 0.81 SLC6A9 (0.48) MAPTSMN1; SMN2THRBWDR5HTT
SCHEMBL28794456 0.81 MEN1 (0.39) MAPTSMN1; SMN2THRBKDM4EMEN1
SCHEMBL28302825 0.81 ALDH1A1 (0.53) MAPTSMN1; SMN2NPY2RKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311869-A Pass through the conjugation of (CDK8) inhibitor of cyclin dependent kinase 8 and E3 ligase ligand degradation CDK8 and application method 达纳-法伯癌症研究所公司 2019-02-05 CN disclosed
CN-103596953-B Pyrido naphthyridine type PI3K and mTOR double inhibitor and preparation and application thereof 山东轩竹医药科技有限公司 2016-10-19 CN disclosed
CN-102399233-B Dual PI3K and mTOR inhibitor compounds KBP BIOSCIENCES CO LTD 2014-08-13 CN disclosed
CN-103626742-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2014-03-12 CN disclosed
CN-103443102-A Bicyclic carboxamide inhibitors of kinases ABBVIE INC 2013-12-11 CN disclosed
CN-101370792-B Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2013-03-20 CN disclosed
CN-102796099-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG 2012-11-28 CN disclosed
CN-102399233-A PI3K and mTOR dual inhibitor compound KBP BIOSCIENCES CO LTD 2012-04-04 CN disclosed
CN-102382128-A Three-ring fused PI3K and mTOR dual inhibitor KBP BIOSCIENCES CO LTD 2012-03-21 CN disclosed
CN-101495477-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-29 CN disclosed
CN-101370792-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC (US) 2009-02-18 CN disclosed