SCHEMBL26286124

SCHEMBL26286124

CNC1CCN(C(=O)CC#N)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.41
JAK3 P52333 16/20 0.41
JAK1 P23458 8/20 0.41
TYK2 P29597 4/20 0.41
KCNH2 Q12809 1/20 0.41
KDM1A O60341 2/20 0.40
KDM5A P29375 1/20 0.40
ROCK1 Q13464 3/20 0.39
PKN2 Q16513 3/20 0.39
LRRK2 Q5S007 3/20 0.39
ROCK2 O75116 2/20 0.39
LCK P06239 2/20 0.39
RET P07949 2/20 0.39
MARK3 P27448 2/20 0.39
KDR P35968 2/20 0.39
PRKCD Q05655 2/20 0.39
STK3 Q13188 2/20 0.39
CAMK2D Q13557 2/20 0.39
MARK2 Q7KZI7 2/20 0.39
CAMK1D Q8IU85 2/20 0.39

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
SCHEMBL12463610 0.91 JAK3 (0.49) JAK2JAK3JAK1
SCHEMBL16718806 0.90 ALDH1A1 (0.42) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL23513629 0.84 KDM5A (0.43) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL16718811 0.83 JAK3 (0.42) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL3685041 0.80 JAK3 (0.48) JAK2JAK3JAK1TYK2ROCK1
SCHEMBL1848016 0.80 JAK3 (0.48) JAK2JAK3JAK1TYK2ROCK1
SCHEMBL23513567 0.80 KDM5A (0.40) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL16408220 0.80 HRH4 (0.39) KDM1A
SCHEMBL2215861 0.80 HRH4 (0.39) KDM1A
SCHEMBL14045029 0.80 EPHX2 (0.54)

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-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed