SCHEMBL27451986

SCHEMBL27451986

CC(C)(C)OC(=O)C1CC(CN)CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
ARG1 P05089 1/20 0.37
NR1H2 P55055 1/20 0.31

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
SCHEMBL27682940 0.86 NR1H2 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27600115 0.84 ARG1 (0.34) ARG1NR1H2
SCHEMBL28657419 0.83 MEN1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28650431 0.82 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21358061 0.80 ARG1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7379626 0.80 MAPK1 (0.36)
SCHEMBL22152561 0.80 MAPK1 (0.36)
SCHEMBL7359958 0.80 MAPK1 (0.36)
SCHEMBL28657453 0.79 ARG1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28649179 0.79 ARG1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709315-A The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2018-02-16 CN disclosed
CN-101600718-B Imidazo [1,2-B ] pyridazine and pyrazolo [1,5-A ] pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN INC 2013-07-03 CN disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
CN-102292083-A Glycogen synthase kinase-3 beta inhibitors containing 7-hydroxy-benzoimidazole-4-yl-methanone derivatives 2011-12-21 CN disclosed
CN-102271514-A 7-Hydroxy-benzoimidazole-4-yl-methanone derivatives and PBK inhibitors containing the Same 2011-12-07 CN disclosed
CN-101600718-A Imidazo [1, 2-B ] pyridazine and pyrazolo [1, 5-A ] pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN INC (US) 2009-12-09 CN disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed
CN-1610665-A Process for preparing cyanophenylbenzoic acid derivatives TEIJIN LTD (JP) 2005-04-27 CN disclosed
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 CN disclosed
CN-1064362-C Pyrimido [5,4-D] pyrimidines, medicaments containing these compounds, their use and process for their production THOMAE GMBH DR K (DE) 2001-04-11 CN disclosed
CN-1212694-A Pyrimido [5,4-D] pyrimidines, medicaments containing these compounds, their use and process for their production THOMAE GMBH DR K (DE) 1999-03-31 CN disclosed