SCHEMBL26437360

SCHEMBL26437360

COC1CCN(c2ccn3ccnc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
SUV39H2 Q9H5I1 6/20 0.39
QPCT Q16769 2/20 0.38
IDH1 O75874 2/20 0.38
USP30 Q70CQ3 4/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
NTSR1 P30989 3/20 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
SCHEMBL13363829 0.82 QPCT (0.49) HRH3SUV39H2QPCT
SCHEMBL26438297 0.82 HRH3 (0.47) HRH3SUV39H2QPCT
SCHEMBL3324022 0.80 HRH3 (0.46) HRH3SUV39H2QPCT
SCHEMBL26437457 0.80 HRH3 (0.49) HRH3SUV39H2QPCTPIK3C3
SCHEMBL13336404 0.80 HRH3 (0.49) HRH3SUV39H2QPCTPIK3C3
SCHEMBL26437436 0.80 HRH3 (0.49) HRH3SUV39H2QPCTPIK3C3
SCHEMBL26437835 0.76 HRH3 (0.47) HRH3SUV39H2QPCTPIK3C3
SCHEMBL26437646 0.76 HRH3 (0.54) HRH3SUV39H2QPCTPIK3C3
SCHEMBL26439865 0.75 HRH3 (0.51) HRH3SUV39H2QPCTPIK3C3
SCHEMBL16212221 0.75 TLR9 (0.53) SUV39H2

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