SCHEMBL17500901

SCHEMBL17500901

Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CC(C[SH](=O)=O)C4)ncnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.42
▸ JAK1 P23458 17/20 0.42
▸ TYK2 P29597 17/20 0.40
▸ JAK3 P52333 15/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL17506905 0.90 JAK2 (0.45) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL17500575 0.90 JAK2 (0.45) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL15970381 0.89 JAK2 (0.44) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL15970382 0.89 JAK2 (0.44) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL15970199 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL15970265 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL15970202 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL15970264 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL17500909 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL17500867 0.86 JAK1 (0.46) JAK2JAK1TYK2JAK3L3MBTL1

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-3180344-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE Pfizer Inc (US) 2017-06-21 — — EP disclosed
WO-2016024185-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE PFIZER INC. (US) 2016-02-18 — — WO disclosed
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