SCHEMBL13496003

SCHEMBL13496003

CN(c1nc(N)nc2[nH]ccc12)[C@@H]1CCCN(C(=O)CC#N)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.71
JAK2 O60674 13/20 0.71
JAK3 P52333 10/20 0.71
TYK2 P29597 5/20 0.71
KCNH2 Q12809 1/20 0.71
ROCK2 O75116 2/20 0.59
MARK3 P27448 2/20 0.59
PRKCD Q05655 2/20 0.59
STK3 Q13188 2/20 0.59
ROCK1 Q13464 2/20 0.59
CAMK2D Q13557 2/20 0.59
PKN2 Q16513 2/20 0.59
LRRK2 Q5S007 2/20 0.59
MARK2 Q7KZI7 2/20 0.59
MAP4K3 Q8IVH8 1/20 0.59
MAP4K5 Q9Y4K4 1/20 0.59
DCLK1 O15075 1/20 0.59
ABL1 P00519 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59

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
SCHEMBL20183356 0.88 JAK1 (0.91) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183359 0.88 JAK1 (0.91) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL1846276 0.85 JAK3 (0.78) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183430 0.83 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL18581919 0.83 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183423 0.83 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
Hydrochloric Acid SCHEMBL20183441 0.83 JAK2 (0.98) JAK1JAK2JAK3TYK2KCNH2
Hydrochloric Acid SCHEMBL20183449 0.83 JAK2 (0.98) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL352920 0.80 JAK2 (0.68) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183339 0.78 JAK2 (0.89) JAK1JAK2JAK3TYK2KCNH2

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-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed