SCHEMBL1725604

SCHEMBL1725604

CC(C)(C)C(Nc1ncc(C#N)cc1Cl)C(=O)O.CC(C)(C)OC(=O)CCNc1ncc(C#N)cc1Cl.COCCNc1ncc(C#N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.42
TNF P01375 2/20 0.36

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
SCHEMBL1725102 0.85 IRAK4 (0.42) IRAK4
SCHEMBL1726524 0.81 IRAK4 (0.44) IRAK4
SCHEMBL1727254 0.79 KDM4E (0.44) IRAK4
SCHEMBL1725287 0.76 IRAK4 (0.48) IRAK4
SCHEMBL3797045 0.75 L3MBTL1 (0.47) IRAK4TNF
SCHEMBL1725903 0.74 SSTR4 (0.39) IRAK4TNF
SCHEMBL1725455 0.68 SSTR4 (0.38) IRAK4TNF
SCHEMBL1726377 0.67 IRAK4 (0.36) IRAK4
SCHEMBL13263446 0.67 PDK1 (0.49) TNF
SCHEMBL22096893 0.66 EGLN2 (0.41) IRAK4TNF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 EP disclosed