SCHEMBL17467698

SCHEMBL17467698

C[C@H]1CN(C(=O)O)CCN1CC(CC#N)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 3/20 0.39
AXL P30530 3/20 0.39
MERTK Q12866 2/20 0.39
JAK2 O60674 6/20 0.37
JAK1 P23458 5/20 0.37
JAK3 P52333 3/20 0.33
TYK2 P29597 2/20 0.33
DAPK3 O43293 2/20 0.32
PAK4 O96013 2/20 0.32
ABL1 P00519 2/20 0.32
RET P07949 2/20 0.32
LTK P29376 2/20 0.32
CSNK1A1 P48729 2/20 0.32
CLK2 P49760 2/20 0.32
TNK2 Q07912 2/20 0.32
ROCK1 Q13464 2/20 0.32
DYRK1A Q13627 2/20 0.32
IKBKE Q14164 2/20 0.32
NTRK3 Q16288 2/20 0.32
NTRK2 Q16620 2/20 0.32

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
SCHEMBL17467700 1.00 TYRO3 (0.39) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1498952 0.92 TYRO3 (0.37) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2084499 0.92 TYRO3 (0.37) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499019 0.90 AXL (0.46) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499135 0.88 TYRO3 (0.36) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1498953 0.86 TYRO3 (0.35) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2084501 0.86 TYRO3 (0.35) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1498950 0.86 JAK2 (0.37) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12832464 0.85 JAK2 (0.38) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12832623 0.85 JAK2 (0.38) TYRO3AXLMERTKJAK2JAK1

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
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed