SCHEMBL28558248

SCHEMBL28558248

NC(=O)OC1CCN(c2cccnc2N)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.40
HRH3 Q9Y5N1 6/20 0.40
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
NEK2 P51955 1/20 0.39
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 1/20 0.38
PRKCA P17252 2/20 0.38
HTR2B P41595 2/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
KMT2A Q03164 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
AOC3 Q16853 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
SCHEMBL28558686 0.82 HRH3 (0.40) PRKCQHRH3PRKCAHTR2BFLT3
SCHEMBL28552622 0.81 ALDH1A1 (0.44) HRH3KDM4E
SCHEMBL30513209 0.80 MAP4K4 (0.47) KMT2A
SCHEMBL29283189 0.80 KDM4E (0.57) KDM4EKMT2A
SCHEMBL29177368 0.78 HRH3 (0.61) HRH3KDM4E
SCHEMBL2253999 0.76 GAA (0.45) PRKCQHRH3NEK2PIM1PIM3
SCHEMBL17506213 0.76 MEN1 (0.43) PRKCQNEK2PIM1PIM3PIM2
SCHEMBL28624613 0.74 KDM4E (0.50) HRH3KDM4E
SCHEMBL28447997 0.74 GPR119 (0.53) HRH3AOC3
SCHEMBL17506349 0.74 PRKCA (0.41) PRKCQPRKCAGSK3B

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-113214246-A Protein kinase C inhibitors and methods of their use 诺华股份有限公司 2021-08-06 CN disclosed
CN-106795151-B Protein kinase C inhibitors and methods of their use 诺华股份有限公司 2021-05-07 CN disclosed