SCHEMBL24505546

SCHEMBL24505546

O=NCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.74
JAK1 P23458 12/20 0.74
JAK3 P52333 5/20 0.74
HDAC6 Q9UBN7 4/20 0.74
TYK2 P29597 3/20 0.74
DAPK3 O43293 2/20 0.74
PAK4 O96013 2/20 0.74
ABL1 P00519 2/20 0.74
RET P07949 2/20 0.74
LTK P29376 2/20 0.74
CSNK1A1 P48729 2/20 0.74
CLK2 P49760 2/20 0.74
TNK2 Q07912 2/20 0.74
ROCK1 Q13464 2/20 0.74
DYRK1A Q13627 2/20 0.74
IKBKE Q14164 2/20 0.74
NTRK3 Q16288 2/20 0.74
NTRK2 Q16620 2/20 0.74
LRRK2 Q5S007 2/20 0.74
TAOK1 Q7L7X3 2/20 0.74

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
SCHEMBL16218910 0.88 JAK2 (0.77) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL100309 0.88 JAK2 (0.77) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL104692 0.87 JAK2 (0.75) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL10315658 0.87 JAK2 (0.75) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL24053685 0.87 JAK2 (0.75) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL19098146 0.86 JAK2 (0.72) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL20548737 0.86 JAK2 (0.72) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL19098148 0.86 JAK2 (0.72) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL19098145 0.86 JAK2 (0.72) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL30846778 0.86 JAK2 (0.72) JAK2JAK1JAK3HDAC6TYK2

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-4011883-A1 SALTS OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H- PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE Incyte Holdings Corporation (US) 2022-06-15 EP disclosed