SCHEMBL25252910

SCHEMBL25252910

CN(C(=O)O)C1CCCN(c2cncc(C#N)c2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
RET P07949 3/20 0.37
BTK Q06187 3/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 3/20 0.34
ATR Q13535 1/20 0.34
CHRM4 P08173 1/20 0.34
GRM1 Q13255 2/20 0.33
PRKDC P78527 1/20 0.33
KDM1A O60341 1/20 0.33
PPARA Q07869 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33

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
SCHEMBL25252907 1.00 JAK2 (0.38) JAK2JAK3RETBTKCSNK2A2
SCHEMBL29418549 0.86 RET (0.48) JAK2JAK3RETBTKCSNK2A2
SCHEMBL30599741 0.86 RET (0.48) JAK2JAK3RETBTKCSNK2A2
SCHEMBL25253013 0.78 ATR (0.43) BTKUSP30ATRPRKDCPPARA
SCHEMBL25213424 0.78 ATR (0.43) BTKUSP30ATRPRKDCPPARA
SCHEMBL25253014 0.78 ATR (0.43) BTKUSP30ATRPRKDCPPARA
SCHEMBL25270046 0.75 RET (0.41) JAK2JAK3RETCSNK2A2CSNK2B
SCHEMBL25267849 0.75 ATR (0.40) BTKUSP30ATRROCK2ROCK1
SCHEMBL25215421 0.75 ATR (0.40) BTKUSP30ATRROCK2ROCK1
SCHEMBL25267669 0.74 ROCK2 (0.40) JAK2JAK3BTKATRROCK2

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-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 EP disclosed