SCHEMBL26437646

SCHEMBL26437646

OC1CCN(c2ccn3ccnc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
SUV39H2 Q9H5I1 6/20 0.46
PIK3C3 Q8NEB9 1/20 0.44
AOC3 Q16853 1/20 0.43
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
F10 P00742 1/20 0.41
QPCT Q16769 1/20 0.40
MAPT P10636 1/20 0.40
ABL1 P00519 1/20 0.39
MAT2A P31153 1/20 0.39
HSD11B1 P28845 1/20 0.38
ACKR3 P25106 1/20 0.38
SYK P43405 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
SCHEMBL13336404 0.91 HRH3 (0.49) HRH3SUV39H2PIK3C3AOC3CDK1
SCHEMBL26437457 0.91 HRH3 (0.49) HRH3SUV39H2PIK3C3AOC3CDK1
SCHEMBL26437436 0.91 HRH3 (0.49) HRH3SUV39H2PIK3C3AOC3CDK1
SCHEMBL26437555 0.84 HRH3 (0.45) HRH3SUV39H2PIK3C3AOC3F10
SCHEMBL3785803 0.82 HRH3 (0.50) HRH3SUV39H2PIK3C3AOC3F10
SCHEMBL26437835 0.79 HRH3 (0.47) HRH3SUV39H2PIK3C3AOC3F10
SCHEMBL31696699 0.78 MEN1 (0.51) HRH3SUV39H2AOC3F10
SCHEMBL26438713 0.78 TLR9 (0.48) HRH3SUV39H2QPCT
SCHEMBL13407684 0.78 HRH3 (0.45) HRH3SUV39H2AOC3F10MAPT
SCHEMBL22077848 0.78 HRH3 (0.59) HRH3SUV39H2

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