SCHEMBL3792811

SCHEMBL3792811

CC(C)(C)C(=O)OCn1ccc2c(-c3cnn([C@H](CC#N)C4CCCC4)c3)ncnc21.O=C(OC(C(=O)O)C(OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.46
JAK1 P23458 10/20 0.46
JAK3 P52333 4/20 0.46
TYK2 P29597 3/20 0.46
ABL1 P00519 3/20 0.46
DAPK3 O43293 2/20 0.46
PAK4 O96013 2/20 0.46
RET P07949 2/20 0.46
LTK P29376 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CLK2 P49760 2/20 0.46
TNK2 Q07912 2/20 0.46
ROCK1 Q13464 2/20 0.46
DYRK1A Q13627 2/20 0.46
IKBKE Q14164 2/20 0.46
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
LRRK2 Q5S007 2/20 0.46
TAOK1 Q7L7X3 2/20 0.46
CAMK1D Q8IU85 2/20 0.46

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
SCHEMBL2997509 1.00 JAK2 (0.46) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2998346 0.91 JAK2 (0.55) JAK2JAK1JAK3TYK2ABL1
SCHEMBL3007464 0.91 JAK2 (0.55) JAK2JAK1JAK3TYK2ABL1
SCHEMBL31330297 0.91 JAK2 (0.55) JAK2JAK1JAK3TYK2ABL1
SCHEMBL2998410 0.91 JAK2 (0.55) JAK2JAK1JAK3TYK2ABL1
SCHEMBL31291534 0.89 JAK2 (0.48) JAK2JAK1JAK3TYK2ABL1
SCHEMBL23827357 0.84 JAK2 (0.45) JAK2JAK1JAK3TYK2ABL1
SCHEMBL16894701 0.84 JAK2 (0.46) JAK2JAK1JAK3TYK2ABL1
SCHEMBL19251681 0.84 JAK2 (0.46) JAK2JAK1JAK3TYK2ABL1
SCHEMBL16894702 0.84 JAK2 (0.46) JAK2JAK1JAK3TYK2ABL1

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-2398774-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Corporation (US) 2011-12-28 EP disclosed
WO-2010083283-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2010-07-22 WO disclosed