SCHEMBL5025180

SCHEMBL5025180

CN(C)C(=O)COc1ccc(Nc2nc(Nc3cccc(CS(N)(=O)=O)c3)ncc2F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 9/20 0.55
▸ EGFR P00533 6/20 0.50
▸ BTK Q06187 2/20 0.48
▸ ITK Q08881 3/20 0.48
▸ CCNT1 O60563 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ BCL6 P41182 2/20 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
SCHEMBL4004937 0.90 SYK (0.56) SYKEGFRBTKITKCCNT1
SCHEMBL4001315 0.87 AURKA (0.55) SYKEGFRITKCDK2BCL6
SCHEMBL4000371 0.86 SYK (0.55) SYKEGFRITKCDK2BCL6
SCHEMBL4000118 0.85 SYK (0.62) SYKEGFRITKCDK2BCL6
SCHEMBL4006621 0.81 JAK3 (0.64) SYKEGFRBTKITKCDK2
SCHEMBL3997326 0.79 SYK (0.62) SYKEGFRBTKITKCDK2
SCHEMBL4002645 0.79 SYK (0.70) SYKEGFRBTKITKCDK2
SCHEMBL3998382 0.78 SYK (0.67) SYKEGFRBTKITKCCNT1
SCHEMBL4002462 0.78 JAK3 (0.56) SYKEGFRBTKITKCCNT1
SCHEMBL3999309 0.78 STK17A (0.52) SYKEGFRBTKITKCDK2

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
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