SCHEMBL12832599

SCHEMBL12832599

C#CCC(CC1CCN(C(=O)c2ccc(F)cc2F)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.60
JAK2 O60674 17/20 0.59
AXL P30530 2/20 0.58
MERTK Q12866 2/20 0.58
JAK1 P23458 9/20 0.49

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
SCHEMBL1498937 0.93 TYRO3 (0.69) TYRO3JAK2AXLMERTKJAK1
SCHEMBL12832590 0.90 JAK2 (0.57) TYRO3JAK2AXLMERTKJAK1
SCHEMBL1499310 0.83 JAK2 (0.63) TYRO3JAK2AXLMERTKJAK1
SCHEMBL2088539 0.82 TYRO3 (0.87) TYRO3JAK2AXLMERTKJAK1
SCHEMBL1499175 0.81 TYRO3 (0.72) TYRO3JAK2AXLMERTKJAK1
SCHEMBL2088065 0.80 TYRO3 (0.82) TYRO3JAK2AXLMERTKJAK1
SCHEMBL1499194 0.79 TYRO3 (0.67) TYRO3JAK2AXLMERTKJAK1
SCHEMBL12832294 0.78 TYRO3 (0.66) TYRO3JAK2AXLMERTKJAK1
SCHEMBL12780565 0.77 TYRO3 (0.69) TYRO3JAK2AXLMERTKJAK1
SCHEMBL17957098 0.76 JAK2 (0.68) JAK2JAK1

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