SCHEMBL26437508

SCHEMBL26437508

OCC1CN(c2ccn3ccnc3c2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.45
CD63 P08962 1/20 0.45
CHEK1 O14757 1/20 0.45
HRH3 Q9Y5N1 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.37
AOC3 Q16853 2/20 0.37
F10 P00742 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
LRRK2 Q5S007 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL26437835 0.79 HRH3 (0.47) HRH3SUV39H2AOC3F10PIK3C3
SCHEMBL26437992 0.78 HRH3 (0.42) HRH3SUV39H2AOC3F10PIK3C3
SCHEMBL13407684 0.76 HRH3 (0.45) HRH3SUV39H2AOC3F10
SCHEMBL13336404 0.74 HRH3 (0.49) HRH3SUV39H2AOC3F10PIK3C3
SCHEMBL26437457 0.74 HRH3 (0.49) HRH3SUV39H2AOC3F10PIK3C3
SCHEMBL26437436 0.74 HRH3 (0.49) HRH3SUV39H2AOC3F10PIK3C3
SCHEMBL26437555 0.73 HRH3 (0.45) SYKHRH3SUV39H2AOC3F10
SCHEMBL26438121 0.73 HRH3 (0.41) HRH3SUV39H2AOC3F10PIK3C3
SCHEMBL28276522 0.71 ADORA2A (0.54) SYKCD63CHEK1ADORA2AADORA1
SCHEMBL23104529 0.71 ADORA2A (0.49) SYKCD63CHEK1ADORA2AADORA1

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