SCHEMBL1853077

SCHEMBL1853077

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1cnc2n1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.59
JAK2 O60674 17/20 0.57
JAK1 P23458 11/20 0.57
TYK2 P29597 6/20 0.57
PKN2 Q16513 5/20 0.57
ROCK1 Q13464 4/20 0.57
LRRK2 Q5S007 4/20 0.57
ROCK2 O75116 3/20 0.57
PRKCD Q05655 3/20 0.57
STK3 Q13188 3/20 0.57
CAMK2D Q13557 3/20 0.57
LCK P06239 3/20 0.57
RET P07949 3/20 0.57
CAMK1D Q8IU85 3/20 0.57
MARK3 P27448 2/20 0.57
MARK2 Q7KZI7 2/20 0.57
DCLK1 O15075 2/20 0.57
ABL1 P00519 2/20 0.57
FYN P06241 2/20 0.57
DMPK Q09013 2/20 0.57

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
SCHEMBL30319570 0.76 JAK3 (0.62) JAK3JAK2JAK1TYK2PKN2
SCHEMBL12395130 0.76 JAK3 (0.54) JAK3JAK2JAK1TYK2PKN2
SCHEMBL12395298 0.75 JAK3 (0.53) JAK3JAK2JAK1TYK2PKN2
SCHEMBL2148313 0.75 JAK3 (0.56) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28285348 0.75 JAK3 (0.68) JAK3JAK2JAK1TYK2PKN2
SCHEMBL2148192 0.75 JAK3 (0.49) JAK3JAK2JAK1TYK2PKN2
SCHEMBL2105400 0.74 JAK3 (0.59) JAK3JAK2JAK1TYK2PKN2
SCHEMBL23612139 0.74 JAK3 (0.61) JAK3JAK2JAK1TYK2PKN2
SCHEMBL9918645 0.74 JAK3 (0.69) JAK3JAK2JAK1TYK2PKN2
SCHEMBL2148132 0.74 JAK3 (0.52) JAK3JAK2JAK1TYK2PKN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324020-A2 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-05-25 EP disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed