SCHEMBL26440222

SCHEMBL26440222

CC(N1CCN(c2ccn3ccnc3c2)CC1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.53
HRH3 Q9Y5N1 3/20 0.51
TLR9 Q9NR96 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
AOC3 Q16853 1/20 0.39
F10 P00742 1/20 0.38
TLR8 Q9NR97 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.34
QPCT Q16769 2/20 0.34

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
SCHEMBL26438459 0.85 HRH3 (0.65) OGAHRH3TLR9TLR7AOC3
SCHEMBL31696699 0.78 MEN1 (0.51) HRH3AOC3F10SUV39H2
SCHEMBL26438620 0.76 AOC3 (0.42) OGAHRH3AOC3F10SUV39H2
SCHEMBL3785803 0.76 HRH3 (0.50) OGAHRH3AOC3F10SUV39H2
SCHEMBL26440146 0.74 HRH3 (0.41) OGAHRH3TLR9TLR7AOC3
SCHEMBL13407684 0.72 HRH3 (0.45) HRH3AOC3F10SUV39H2
SCHEMBL26438713 0.72 TLR9 (0.48) HRH3TLR9TLR7SUV39H2QPCT
SCHEMBL26437646 0.70 HRH3 (0.54) HRH3AOC3F10SUV39H2PIK3C3
SCHEMBL26437884 0.69 SUV39H2 (0.47) HRH3AOC3F10SUV39H2
SCHEMBL19295993 0.69 OGA (1.00) OGA

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