SCHEMBL28803045

SCHEMBL28803045

CC(C)(C)C(=O)ON1CC(N)CC(c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.39
HTRA1 Q92743 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GRIN2B Q13224 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL27488566 0.77 RIPK1 (0.51) RIPK1HRH3GRIN2B
SCHEMBL28685326 0.77 ALDH1A1 (0.49) RIPK1
SCHEMBL2026837 0.76 RORC (0.51) HTRA1MEN1KMT2A
SCHEMBL31410105 0.76 RORC (0.51) HTRA1MEN1KMT2A
SCHEMBL27979570 0.76 SLC18A3 (0.33) RIPK1
SCHEMBL27713286 0.76 ATM (0.33)
SCHEMBL27668157 0.74 RIPK1 (0.45) RIPK1HRH3
SCHEMBL27822443 0.74 SLC6A2 (0.46) RIPK1HRH3
SCHEMBL27801641 0.74 SLC6A2 (0.46) RIPK1HRH3
SCHEMBL28017484 0.73 MEN1 (0.43) RIPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884062-B Aminopyrimidine inhibitors of kinases 嘉世高制药公司 2016-08-03 CN disclosed
CN-102884062-A Aminopyrimidine kinase inhibitors JASCO PHARMACEUTICALS LLC 2013-01-16 CN disclosed