SCHEMBL28220125

SCHEMBL28220125

CN(C)C1CCN(c2ncncn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
HRH4 Q9H3N8 4/20 0.45
HRH3 Q9Y5N1 2/20 0.45
HDAC6 Q9UBN7 1/20 0.43
DYRK1A Q13627 1/20 0.43
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
JAK3 P52333 1/20 0.38
PDE10A Q9Y233 2/20 0.38
HTR1D P28221 2/20 0.37
HTR3A P46098 2/20 0.37
HTR6 P50406 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
MAPK8 P45983 2/20 0.37
BTK Q06187 2/20 0.37
MRGPRX2 Q96LB1 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL1927645 0.80 HDAC6 (0.49) MAP4K4HRH4HRH3HDAC6DYRK1A
SCHEMBL28219641 0.80 MAP4K4 (0.47) MAP4K4HRH4HRH3HDAC6DYRK1A
SCHEMBL28543291 0.80 MAP4K4 (0.53) MAP4K4HRH4HRH3HDAC6DYRK1A
SCHEMBL13806026 0.73 DYRK1A (0.55) MAP4K4HRH4HRH3DYRK1AMAPK8
SCHEMBL13806029 0.73 DYRK1A (0.55) MAP4K4HRH4HRH3DYRK1AMAPK8
SCHEMBL10145970 0.73 KDM4E (0.51) DYRK1AADRA1B
SCHEMBL12663042 0.72 KDM4E (0.49) MAP4K4HRH4HRH3PDE10A
SCHEMBL12487715 0.72 DYRK1A (0.54) MAP4K4HRH4HRH3DYRK1AJAK2
SCHEMBL16991350 0.71 DYRK1A (0.45) MAP4K4HRH4HRH3HDAC6DYRK1A
SCHEMBL19251255 0.71 DYRK1A (0.47) MAP4K4HRH4HRH3HDAC6DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108135175-A Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2018-06-08 CN disclosed