SCHEMBL2440604

SCHEMBL2440604

CC(CC(=O)OC(=O)C(F)(F)F)(c1cccc(C#N)c1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.52
JAK1 P23458 7/20 0.44
TYRO3 Q06418 1/20 0.43
AXL P30530 1/20 0.41

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
SCHEMBL22584067 0.79 TYRO3 (0.47) JAK2JAK1TYRO3
SCHEMBL15399202 0.78 JAK2 (0.63) JAK2JAK1
Trifluoroacetic Acid SCHEMBL101490 0.73 TYRO3 (0.47) JAK2JAK1TYRO3
Trifluoroacetic Acid SCHEMBL16673518 0.72 JAK2 (0.50) JAK2JAK1
Trifluoroacetic Acid SCHEMBL15399201 0.71 JAK2 (0.66) JAK2JAK1
Trifluoroacetic Acid SCHEMBL98943 0.71 TYRO3 (0.55) JAK2JAK1TYRO3AXL
Trifluoroacetic Acid SCHEMBL20512407 0.71 TYRO3 (0.55) JAK2JAK1TYRO3AXL
Trifluoroacetic Acid SCHEMBL29541025 0.71 TYRO3 (0.55) JAK2JAK1TYRO3AXL
Trifluoroacetic Acid SCHEMBL100175 0.71 TYRO3 (0.55) JAK2JAK1TYRO3AXL
Trifluoroacetic Acid SCHEMBL29540818 0.71 TYRO3 (0.55) JAK2JAK1TYRO3AXL

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
EP-1966202-B1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2011-09-21 EP disclosed