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SCHEMBL2225448

SCHEMBL2225448

C[C@@H](O)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.43
▸ JAK2 O60674 7/20 0.43
▸ TYK2 P29597 6/20 0.42
▸ JAK3 P52333 6/20 0.42
▸ CYP3A4 P08684 3/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39

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
SCHEMBL2277557 0.90 JAK1 (0.50) JAK1JAK2TYK2JAK3CKS1B
SCHEMBL9953393 0.88 JAK1 (0.46) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL10282010 0.88 JAK1 (0.46) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2277419 0.88 JAK1 (0.47) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2224575 0.87 HTR6 (0.46) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2281787 0.86 JAK1 (0.46) JAK1JAK2TYK2JAK3CKS1B
SCHEMBL2224964 0.85 JAK1 (0.46) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2277664 0.85 JAK1 (0.45) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL25284995 0.84 HTR6 (0.43) JAK1JAK2
SCHEMBL2272937 0.84 HTR6 (0.43) JAK1JAK2

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-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 — — EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 — — WO disclosed