SCHEMBL5026033

SCHEMBL5026033

CC(CC#N)Oc1ccc(Nc2nc(Cl)ncc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.53
AURKA O14965 2/20 0.44
BCL6 P41182 3/20 0.39
NCOR2 Q9Y618 1/20 0.39
CDK4 P11802 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL654088 0.83 SYK (0.74) SYKAURKABCL6NCOR2
SCHEMBL4001465 0.81 SYK (0.75) SYKAURKACDK4
SCHEMBL5025941 0.81 SYK (0.51) SYKAURKAEGFR
SCHEMBL5026161 0.79 SYK (0.58) SYKAURKACDK4EGFR
SCHEMBL655280 0.77 SYK (0.73) SYKAURKABCL6
SCHEMBL19313055 0.77 SYK (0.72) SYKAURKABCL6
SCHEMBL5138413 0.76 SYK (0.56) SYKAURKAEGFR
SCHEMBL4002656 0.76 SYK (0.51) SYKAURKAEGFR
SCHEMBL5025911 0.76 SYK (0.64) SYKAURKAEGFR
SCHEMBL29557252 0.75 SYK (0.56) SYKAURKABCL6CDK4

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