SCHEMBL12832590

SCHEMBL12832590

C#CCC(CC1CCN(C(=O)c2ccc(F)cc2)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.57
JAK1 P23458 12/20 0.57
TYRO3 Q06418 2/20 0.51
AXL P30530 1/20 0.49
MERTK Q12866 1/20 0.49
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
STK25 O00506 1/20 0.47
CIT O14578 1/20 0.47
RIOK3 O14730 1/20 0.47
IKBKB O14920 1/20 0.47
CASK O14936 1/20 0.47
GAK O14976 1/20 0.47
DCLK1 O15075 1/20 0.47
EPHB6 O15197 1/20 0.47
DAPK3 O43293 1/20 0.47
MAP3K7 O43318 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL1499310 0.93 JAK2 (0.63) JAK2JAK1TYRO3AXLMERTK
SCHEMBL12832599 0.90 TYRO3 (0.60) JAK2JAK1TYRO3AXLMERTK
SCHEMBL1498937 0.83 TYRO3 (0.69) JAK2JAK1TYRO3AXLMERTK
SCHEMBL12832294 0.81 TYRO3 (0.66) JAK2JAK1TYRO3AXLMERTK
SCHEMBL2085410 0.81 TYRO3 (0.75) JAK2JAK1TYRO3AXLMERTK
SCHEMBL1498920 0.79 TYRO3 (0.61) JAK2JAK1TYRO3AXLMERTK
SCHEMBL2086449 0.78 TYRO3 (0.71) JAK2JAK1TYRO3AXLMERTK
SCHEMBL101686 0.76 JAK2 (0.70) JAK2JAK1TYRO3AXLMERTK
SCHEMBL100966 0.76 JAK2 (0.70) JAK2JAK1TYRO3AXLMERTK
SCHEMBL101072 0.76 JAK2 (0.70) JAK2JAK1TYRO3AXLMERTK

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-2011028685-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-03-10 WO disclosed