SCHEMBL5025941

SCHEMBL5025941

CC(CC(N)=O)Oc1ccc(Nc2nc(Cl)ncc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.51
AURKA O14965 6/20 0.43
JAK2 O60674 1/20 0.41
AURKB Q96GD4 1/20 0.41
EGFR P00533 3/20 0.40
ITK Q08881 2/20 0.40

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
SCHEMBL4001391 0.82 SYK (0.67) SYKAURKAJAK2AURKBEGFR
SCHEMBL654088 0.81 SYK (0.74) SYKAURKA
SCHEMBL5026033 0.81 SYK (0.53) SYKAURKAEGFR
SCHEMBL5029402 0.78 SYK (0.69) SYKAURKAJAK2AURKBEGFR
SCHEMBL27612501 0.78 SYK (0.51) SYKAURKAJAK2AURKBEGFR
SCHEMBL5025951 0.77 SYK (0.63) SYKAURKAJAK2AURKBEGFR
SCHEMBL653164 0.77 SYK (0.51) SYKAURKAEGFR
SCHEMBL4003224 0.77 SYK (0.47) SYKAURKAJAK2AURKBEGFR
SCHEMBL27631520 0.77 SYK (0.55) SYKAURKAJAK2EGFRITK
SCHEMBL655818 0.76 SYK (0.46) SYKAURKAEGFR

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-1904457-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 WO disclosed