SCHEMBL24200717

SCHEMBL24200717

C[C@@H]1CCN(C(=O)CC#N)CC1N(C)c1c(C#N)cnc2[nH]ccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.75
JAK1 P23458 11/20 0.75
JAK2 O60674 16/20 0.72
TYK2 P29597 6/20 0.72
PKN2 Q16513 4/20 0.72
ROCK2 O75116 3/20 0.72
PRKCD Q05655 3/20 0.72
STK3 Q13188 3/20 0.72
ROCK1 Q13464 3/20 0.72
CAMK2D Q13557 3/20 0.72
LRRK2 Q5S007 3/20 0.72
MARK3 P27448 2/20 0.72
MARK2 Q7KZI7 2/20 0.72
DCLK1 O15075 2/20 0.72
ABL1 P00519 2/20 0.72
LCK P06239 2/20 0.72
FYN P06241 2/20 0.72
RET P07949 2/20 0.72
DMPK Q09013 2/20 0.72
MAP4K2 Q12851 2/20 0.72

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
SCHEMBL30911326 1.00 JAK3 (0.75) JAK3JAK1JAK2TYK2PKN2
SCHEMBL22418507 1.00 JAK3 (0.75) JAK3JAK1JAK2TYK2PKN2
SCHEMBL22418568 0.92 JAK3 (0.64) JAK3JAK1JAK2TYK2PKN2
SCHEMBL22436068 0.92 JAK3 (0.64) JAK3JAK1JAK2TYK2PKN2
SCHEMBL24200741 0.92 JAK3 (0.64) JAK3JAK1JAK2TYK2PKN2
SCHEMBL22418571 0.92 JAK3 (0.64) JAK3JAK1JAK2TYK2PKN2
SCHEMBL28463341 0.90 JAK3 (0.81) JAK3JAK1JAK2TYK2PKN2
SCHEMBL20956199 0.88 JAK3 (0.87) JAK3JAK1JAK2TYK2PKN2
SCHEMBL20956162 0.88 JAK3 (0.87) JAK3JAK1JAK2TYK2PKN2
SCHEMBL30583715 0.88 JAK3 (0.87) JAK3JAK1JAK2TYK2PKN2

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-3939979-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2022-01-19 EP disclosed