SCHEMBL26545652

SCHEMBL26545652

C=C(CC#N)N1CCC(C)C(NC)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.35
JAK1 P23458 9/20 0.35
JAK2 O60674 9/20 0.33
RET P07949 4/20 0.33
ROCK1 Q13464 3/20 0.33
PKN2 Q16513 3/20 0.33
LRRK2 Q5S007 3/20 0.33
LCK P06239 2/20 0.33
KDR P35968 2/20 0.33
CAMK1D Q8IU85 2/20 0.33
PRKACA P17612 1/20 0.33
LTK P29376 1/20 0.33
GSK3A P49840 1/20 0.33
PRKX P51817 1/20 0.33
TYK2 P29597 3/20 0.31
ROCK2 O75116 2/20 0.31
MARK3 P27448 2/20 0.31
PRKCD Q05655 2/20 0.31
STK3 Q13188 2/20 0.31
CAMK2D Q13557 2/20 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
SCHEMBL16731051 1.00 JAK3 (0.35) JAK3JAK1JAK2RETROCK1
SCHEMBL1848016 0.82 JAK3 (0.48) JAK3JAK1JAK2RETROCK1
SCHEMBL3685041 0.82 JAK3 (0.48) JAK3JAK1JAK2RETROCK1
Hydrochloric Acid SCHEMBL1847847 0.81 JAK3 (0.47) JAK3JAK1JAK2RETROCK1
SCHEMBL20343675 0.78 PHGDH (0.36) MEN1ALDH1A1MAPTKMT2A
SCHEMBL22173652 0.74 PHGDH (0.42) MEN1ALDH1A1MAPTKMT2A
SCHEMBL27562892 0.71 JAK3 (0.36) JAK3JAK1JAK2RETROCK1
SCHEMBL27616265 0.69 JAK3 (0.36) JAK3MEN1ALDH1A1KMT2A
SCHEMBL13505197 0.69 JAK3 (0.48) JAK3JAK1JAK2RETROCK1
SCHEMBL3687009 0.68 POLB (0.47) JAK3MEN1ALDH1A1KMT2A

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
EP-3604322-B1 LACTULOSE GLYCOSIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF FRUITHY HOLDINGS LTD (CN) 2023-10-18 EP disclosed