SCHEMBL1706165

SCHEMBL1706165

O=C(Nc1ccnc(NC(=O)C2C[C@@H]2C(=O)O)c1)c1c(Cl)cccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 1.00
JAK2 O60674 7/20 0.75
JAK1 P23458 3/20 0.75
CDK9 P50750 1/20 0.75
JAK3 P52333 1/20 0.75

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
SCHEMBL1706323 1.00 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3512596 1.00 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513207 1.00 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL1706159 1.00 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3514789 1.00 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3515236 0.90 TYK2 (0.82) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3515022 0.90 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3517299 0.90 TYK2 (0.82) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3512735 0.90 TYK2 (0.82) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3514272 0.90 TYK2 (0.82) TYK2JAK2JAK1CDK9JAK3

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-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed