SCHEMBL4613736

SCHEMBL4613736

CS(=O)(=O)N1CCC(Nc2cc[nH]c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
IDO1 P14902 1/20 0.43
KDM1A O60341 1/20 0.43
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
FABP6 P51161 1/20 0.42
POLB P06746 1/20 0.42
IKBKB O14920 1/20 0.42
CNR1 P21554 2/20 0.42
RORC P51449 1/20 0.42
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR6 P51684 1/20 0.40
TDO2 P48775 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29883520 0.83 JAK2 (0.46) JAK2JAK1JAK3
SCHEMBL4613841 0.82 POLB (0.59) JAK2JAK1JAK3KDM1APOLB
SCHEMBL4761556 0.77 TYK2 (0.34) JAK2JAK1JAK3POLBALDH1A1
SCHEMBL15829995 0.77 ALDH1A1 (0.61) IDO1KDM1AFPR2PROKR1POLB
SCHEMBL6534113 0.77
SCHEMBL17303771 0.73 TSHR (0.64) IDO1FPR2PROKR1FABP6POLB
SCHEMBL16217402 0.73 EPHX2 (0.53) IDO1KDM1AFPR2PROKR1RORC
SCHEMBL4612918 0.73 POLB (0.39) POLBCNR2ALDH1A1
SCHEMBL19957578 0.72 MAPT (0.47) IDO1KDM1AFABP6IKBKBRORC
SCHEMBL25781602 0.72 JAK2 (0.48) JAK2JAK1JAK3IDO1KDM1A

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-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed