SCHEMBL26438237

SCHEMBL26438237

COCC1CN(c2ccn3ccnc3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
QPCT Q16769 3/20 0.41
AOC3 Q16853 1/20 0.36
SUV39H2 Q9H5I1 4/20 0.36
F10 P00742 1/20 0.35
CHRM4 P08173 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
OGA O60502 1/20 0.32
MAP4K4 O95819 1/20 0.32
SSTR4 P31391 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL26438297 0.91 HRH3 (0.47) HRH3QPCTSUV39H2
SCHEMBL26437992 0.82 HRH3 (0.42) HRH3QPCTAOC3SUV39H2F10
SCHEMBL26437932 0.81 HRH3 (0.40) HRH3QPCTAOC3SUV39H2F10
SCHEMBL26438121 0.80 HRH3 (0.41) HRH3QPCTAOC3SUV39H2F10
SCHEMBL26437555 0.77 HRH3 (0.45) HRH3QPCTAOC3SUV39H2F10
SCHEMBL34464680 0.76 HRH3 (0.42) HRH3QPCTAOC3SUV39H2PIK3C3
SCHEMBL26438814 0.76 HRH3 (0.45) HRH3QPCTAOC3SUV39H2F10
SCHEMBL26437954 0.76 HRH3 (0.42) HRH3QPCTAOC3SUV39H2F10
SCHEMBL26437835 0.75 HRH3 (0.47) HRH3QPCTAOC3SUV39H2F10
SCHEMBL26437360 0.75 HRH3 (0.54) HRH3QPCTSUV39H2PIK3C3

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