SCHEMBL31361676

SCHEMBL31361676

CN1CCO[C@@H](Cn2cc(N)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.41
SLC6A2 P23975 1/20 0.40
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ACKR3 P25106 1/20 0.35
EPHA2 P29317 5/20 0.33
MAPT P10636 2/20 0.33
MET P08581 1/20 0.33
LMNA P02545 1/20 0.33
ERBB2 P04626 3/20 0.33
KDR P35968 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL31361732 1.00 TLR7 (0.41) TLR7SLC6A2WNT1GSK3BDYRK1A
SCHEMBL31361587 0.83 HRH3 (0.39) TLR7HRH3EPHA2MAPTLMNA
SCHEMBL31361626 0.81 IRAK4 (0.38) IRAK4HRH3
SCHEMBL1704144 0.80 MAPT (0.39) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL31361681 0.79 ALDH1A1 (0.42) TLR7SLC6A2WNT1GSK3BDYRK1A
SCHEMBL29676590 0.79 PPIB (0.36)
SCHEMBL22261043 0.76 TDP1 (0.47) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL1703769 0.76 HDAC1 (0.47) TLR7HRH3MAPTLMNAKDR
SCHEMBL1665196 0.75 KLKB1 (0.41) TLR7SLC6A2IRAK4HRH3LMNA
SCHEMBL31361733 0.75 KLKB1 (0.41) TLR7SLC6A2IRAK4HRH3LMNA

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
WO-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed