SCHEMBL26438239

SCHEMBL26438239

CC(C)Oc1cc(Br)cc2c1C(=O)N(CC(F)(F)F)CC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIK2 Q9H0K1 16/20 0.46
EZH2 Q15910 3/20 0.39
SIK3 Q9Y2K2 9/20 0.38
SIK1 P57059 8/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIPK2 O43353 1/20 0.37
ABL1 P00519 1/20 0.37
KCNH2 Q12809 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL32691523 0.89 SIK2 (0.44) SIK2SIK3SIK1CYP2C9CYP2C19
SCHEMBL21593330 0.87 SIK2 (0.58) SIK2SIK3SIK1CYP2C9CYP2C19
SCHEMBL21593487 0.85 SIK2 (0.48) SIK2EZH2SIK3SIK1CYP2C9
SCHEMBL30131022 0.84 SIK2 (0.50) SIK2SIK3SIK1CYP2C9CYP2C19
SCHEMBL21593303 0.82 SIK2 (0.44) SIK2SIK3SIK1CYP2C9CYP2C19
SCHEMBL26439513 0.79 SIK2 (0.41) SIK2SIK3SIK1CYP2C9CYP2C19
SCHEMBL21593383 0.78 SIK2 (0.41) SIK2SIK3SIK1CYP2C9CYP2C19
SCHEMBL32691269 0.78 SIK2 (0.41) SIK2SIK3SIK1CYP2C9CYP2C19
SCHEMBL26439618 0.78 SIK2 (0.41) SIK2SIK3SIK1CYP2C9CYP2C19
SCHEMBL21593288 0.75 CYP1A2 (0.33) SIK2EZH2CYP1A2CYP3A4CYP2D6

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