SCHEMBL26439865

SCHEMBL26439865

CC(C)N(C)C1CCN(c2ccn3ccnc3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
SUV39H2 Q9H5I1 11/20 0.40
OGA O60502 1/20 0.38
F10 P00742 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
QPCT Q16769 1/20 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
SCHEMBL26437954 0.79 HRH3 (0.42) HRH3SUV39H2OGAF10PIK3C3
SCHEMBL26437436 0.76 HRH3 (0.49) HRH3SUV39H2F10PIK3C3QPCT
SCHEMBL26437457 0.76 HRH3 (0.49) HRH3SUV39H2F10PIK3C3QPCT
SCHEMBL13336404 0.76 HRH3 (0.49) HRH3SUV39H2F10PIK3C3QPCT
SCHEMBL26437646 0.75 HRH3 (0.54) HRH3SUV39H2F10PIK3C3QPCT
SCHEMBL26437360 0.75 HRH3 (0.54) HRH3SUV39H2PIK3C3QPCT
SCHEMBL26438459 0.74 HRH3 (0.65) HRH3SUV39H2OGAF10QPCT
SCHEMBL26438297 0.73 HRH3 (0.47) HRH3SUV39H2QPCT
SCHEMBL3785803 0.73 HRH3 (0.50) HRH3SUV39H2OGAF10HRH4
SCHEMBL26437835 0.73 HRH3 (0.47) HRH3SUV39H2F10PIK3C3QPCT

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