SCHEMBL2731818

SCHEMBL2731818

Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CNCCOC4)ncnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.43
▸ JAK1 P23458 16/20 0.43
▸ ATR Q13535 2/20 0.40
▸ ATRIP Q8WXE1 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TYK2 P29597 7/20 0.36
▸ JAK3 P52333 6/20 0.36
▸ HTR6 P50406 1/20 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
SCHEMBL10227678 0.88 JAK1 (0.48) JAK2JAK1L3MBTL1HTR6
SCHEMBL10228627 0.88 JAK1 (0.48) JAK2JAK1L3MBTL1HTR6
SCHEMBL10227681 0.88 JAK1 (0.48) JAK2JAK1ATRATRIPL3MBTL1
SCHEMBL17545881 0.86 JAK1 (0.47) JAK2JAK1L3MBTL1TYK2JAK3
SCHEMBL17545962 0.85 JAK1 (0.46) JAK2JAK1L3MBTL1TYK2JAK3
SCHEMBL29712023 0.82 JAK1 (0.48) JAK2JAK1L3MBTL1TYK2JAK3
SCHEMBL2729786 0.80 JAK1 (0.45) JAK2JAK1ATRATRIPL3MBTL1
SCHEMBL2320091 0.80 JAK2 (0.42) JAK2JAK1ATRATRIPL3MBTL1
SCHEMBL17500867 0.80 JAK1 (0.46) JAK2JAK1L3MBTL1TYK2JAK3
SCHEMBL17500868 0.80 JAK1 (0.46) JAK2JAK1L3MBTL1TYK2JAK3

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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