SCHEMBL2732774

SCHEMBL2732774

Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4COCCN(C(=O)OC(C)(C)C)C4)ncnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.42
▸ JAK1 P23458 3/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ BTK Q06187 2/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ JAK3 P52333 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL18419034 0.90 JAK1 (0.48) GPR119JAK1JAK2HTR6CYP2C9
SCHEMBL10226760 0.88 GPR119 (0.45) GPR119JAK1JAK2HTR6CYP2C9
SCHEMBL29838827 0.85 JAK1 (0.58) GPR119JAK1JAK2JAK3
SCHEMBL19757372 0.84 GPR119 (0.47) GPR119JAK1JAK2JAK3
SCHEMBL17545914 0.82 HTR6 (0.42) GPR119JAK1JAK2HTR6BCHE
SCHEMBL29711905 0.81 GPR119 (0.43) GPR119JAK1JAK2HTR6CYP2C9
SCHEMBL15970531 0.81 GPR119 (0.45) GPR119JAK1JAK2HTR6CYP2C9
SCHEMBL15970530 0.81 GPR119 (0.45) GPR119JAK1JAK2HTR6CYP2C9
SCHEMBL17500887 0.81 JAK1 (0.49) GPR119JAK1JAK2JAK3
SCHEMBL17500886 0.81 JAK1 (0.49) GPR119JAK1JAK2JAK3

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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