SCHEMBL23712368

SCHEMBL23712368

C[C@H]1CCC([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.80
JAK1 P23458 14/20 0.80
JAK3 P52333 7/20 0.80
RET P07949 3/20 0.80
ROCK1 Q13464 3/20 0.80
TYK2 P29597 3/20 0.80
DAPK3 O43293 2/20 0.80
PAK4 O96013 2/20 0.80
ABL1 P00519 2/20 0.80
LTK P29376 2/20 0.80
CSNK1A1 P48729 2/20 0.80
CLK2 P49760 2/20 0.80
TNK2 Q07912 2/20 0.80
DYRK1A Q13627 2/20 0.80
IKBKE Q14164 2/20 0.80
NTRK3 Q16288 2/20 0.80
NTRK2 Q16620 2/20 0.80
LRRK2 Q5S007 2/20 0.80
TAOK1 Q7L7X3 2/20 0.80
CAMK1D Q8IU85 2/20 0.80

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
SCHEMBL2252261 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL2252878 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL2249865 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL2252580 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL2249862 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL2254549 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL2254546 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL2255365 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL2252265 0.94 JAK2 (0.79) JAK2JAK1JAK3RETROCK1
SCHEMBL3008701 0.93 JAK2 (0.92) JAK2JAK1JAK3RETROCK1

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-2021152172-A1 HYPERBRANCHED POLYESTER POLYOL DERIVATIVE AS DRUG SOLUBILIZER FREIE UNIVERSITÄT BERLIN (DE) 2021-08-05 WO disclosed