SCHEMBL14636175

SCHEMBL14636175

CC(C)(C)OC(=O)N1CCC(C#N)(Oc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.46
JAK1 P23458 9/20 0.46
HDAC2 Q92769 2/20 0.44
HDAC1 Q13547 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
S1PR2 O95136 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RORC P51449 1/20 0.42

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
SCHEMBL23311683 0.83 HDAC2 (0.49) JAK2JAK1HDAC2HDAC1GPR119
SCHEMBL14635984 0.81 MEN1 (0.47) JAK2JAK1HDAC2HDAC1GPR119
SCHEMBL3925930 0.81 RORC (0.48) JAK2JAK1HDAC2HDAC1MEN1
SCHEMBL14635957 0.81 HDAC2 (0.48) JAK2JAK1HDAC2HDAC1GPR119
SCHEMBL21606973 0.80 HDAC2 (0.45) JAK2JAK1HDAC2HDAC1GPR119
SCHEMBL3356494 0.79 JAK2 (0.46) JAK2JAK1HDAC2HDAC1GPR119
SCHEMBL3355538 0.78 RORC (0.48) JAK2JAK1HDAC2HDAC1MEN1
SCHEMBL4635533 0.78 JAK2 (0.47) JAK2JAK1HDAC2HDAC1GPR119
SCHEMBL22719332 0.77 JAK2 (0.47) JAK2JAK1HDAC2HDAC1GPR119
SCHEMBL4634633 0.77 JAK2 (0.45) JAK2JAK1HDAC2HDAC1GPR119

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-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed