SCHEMBL2729786

SCHEMBL2729786

Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCCNOC4)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 16/20 0.45
▸ JAK2 O60674 13/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ATRIP Q8WXE1 1/20 0.35
▸ JAK3 P52333 7/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ TYK2 P29597 3/20 0.34

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
SCHEMBL17545881 0.86 JAK1 (0.47) JAK1JAK2L3MBTL1MAPTJAK3
SCHEMBL17545962 0.84 JAK1 (0.46) JAK1JAK2L3MBTL1MAPTJAK3
SCHEMBL10227678 0.82 JAK1 (0.48) JAK1JAK2L3MBTL1MAPTHTR6
SCHEMBL10228627 0.82 JAK1 (0.48) JAK1JAK2L3MBTL1MAPTHTR6
SCHEMBL10227681 0.82 JAK1 (0.48) JAK1JAK2L3MBTL1ATRATRIP
SCHEMBL2731818 0.80 JAK2 (0.43) JAK1JAK2L3MBTL1ATRATRIP
SCHEMBL17500868 0.80 JAK1 (0.46) JAK1JAK2L3MBTL1JAK3TYK2
SCHEMBL17500867 0.80 JAK1 (0.46) JAK1JAK2L3MBTL1JAK3TYK2
SCHEMBL15972409 0.79 JAK1 (0.48) JAK1JAK2L3MBTL1JAK3TYK2
SCHEMBL21351639 0.79 JAK1 (0.46) JAK1JAK2L3MBTL1JAK3TYK2

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-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 — — EP disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 — — WO disclosed
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