SCHEMBL26440604

SCHEMBL26440604

COc1cc(BOC(C)(C)C(C)(C)O)cc2c1C(=O)N(CC(F)(F)F)CC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIK2 Q9H0K1 16/20 0.49
SIK3 Q9Y2K2 9/20 0.40
SIK1 P57059 8/20 0.40
RIPK2 O43353 1/20 0.40
ABL1 P00519 1/20 0.40
KCNH2 Q12809 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR3C1 P04150 2/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31

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
SCHEMBL23193859 0.80 TP53 (0.32)
SCHEMBL23193792 0.80 SIK2 (0.37) SIK2SIK3SIK1
SCHEMBL21593330 0.78 SIK2 (0.58) SIK2SIK3SIK1RIPK2ABL1
SCHEMBL24169269 0.76 SIK2 (0.58) SIK2SIK3SIK1RIPK2ABL1
SCHEMBL22747321 0.76 SIK2 (0.55) SIK2SIK3SIK1RIPK2ABL1
SCHEMBL23193564 0.73 NCOA1 (0.33)
SCHEMBL21593403 0.73 SIK2 (0.50) SIK2SIK3SIK1RIPK2ABL1
SCHEMBL24169470 0.72 SIK2 (0.54) SIK2SIK3SIK1RIPK2ABL1
SCHEMBL22747322 0.71 SIK2 (0.51) SIK2SIK3SIK1RIPK2ABL1
SCHEMBL30131022 0.71 SIK2 (0.50) SIK2SIK3SIK1RIPK2ABL1

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