SCHEMBL26436015

SCHEMBL26436015

CC1CN(C)CCN1CC#N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
ABL1 P00519 2/20 0.34
KDR P35968 2/20 0.34
STAT3 P40763 2/20 0.34
GSK3B P49841 2/20 0.34
AURKB Q96GD4 2/20 0.34
HRH3 Q9Y5N1 4/20 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
SCHEMBL18912355 0.82 ALDH1A1 (0.40) HRH3
SCHEMBL17194445 0.80 TSHR (0.39)
SCHEMBL22699692 0.80 CYP2D6 (0.35) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL13415885 0.77 SIGMAR1 (0.37) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL13397311 0.76 JAK2 (0.32) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL25800783 0.74 DRD2 (0.33) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL26441178 0.74 SLC6A9 (0.33) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL12568602 0.74 SIGMAR1 (0.39)
SCHEMBL81698 0.74 SIGMAR1 (0.39)
SCHEMBL18912360 0.74 SIGMAR1 (0.39)

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