SCHEMBL26438459

SCHEMBL26438459

CC(C)N1CCN(c2ccn3ccnc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.65
TLR9 Q9NR96 4/20 0.52
TLR7 Q9NYK1 4/20 0.52
OGA O60502 1/20 0.49
TLR8 Q9NR97 1/20 0.48
SUV39H2 Q9H5I1 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
F10 P00742 1/20 0.41
AOC3 Q16853 1/20 0.40
KHK P50053 1/20 0.40
QPCT Q16769 3/20 0.37
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 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
SCHEMBL26440222 0.85 OGA (0.53) HRH3TLR9TLR7OGATLR8
SCHEMBL31696699 0.83 MEN1 (0.51) HRH3SUV39H2KDM4EF10AOC3
SCHEMBL3785803 0.81 HRH3 (0.50) HRH3OGASUV39H2F10AOC3
SCHEMBL14845185 0.80 HRH3 (1.00) HRH3
SCHEMBL26438713 0.77 TLR9 (0.48) HRH3TLR9TLR7SUV39H2QPCT
SCHEMBL13407684 0.77 HRH3 (0.45) HRH3SUV39H2KDM4EALDH1A1MAPT
SCHEMBL26437646 0.75 HRH3 (0.54) HRH3SUV39H2MAPTF10AOC3
SCHEMBL26437884 0.74 SUV39H2 (0.47) HRH3SUV39H2F10AOC3
SCHEMBL26439865 0.74 HRH3 (0.51) HRH3OGASUV39H2F10QPCT
SCHEMBL26438814 0.73 HRH3 (0.45) HRH3OGASUV39H2F10AOC3

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-2023066204-A1 SIK INHIBITOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2023-04-27 WO disclosed