Sugi Predict

Sugi Predict / Compounds / SCHEMBL20568338

SCHEMBL20568338

SCHEMBL20568338

C[Si](C)(C)CCOCn1ncc(NC(=O)c2cnn3cccnc23)c1-c1cc(Br)ccc1OC(F)F.O=C(Nc1c[nH]nc1-c1cc(Br)ccc1OC(F)F)c1cnn2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.57
▸ JAK1 P23458 18/20 0.57
▸ TYK2 P29597 7/20 0.57
▸ JAK3 P52333 7/20 0.57
▸ LRRK2 Q5S007 2/20 0.50
▸ IRAK4 Q9NWZ3 2/20 0.48

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
SCHEMBL18893893 0.94 JAK2 (0.62) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL20560479 0.87 JAK2 (0.58) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL30273461 0.87 JAK2 (0.58) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL20560911 0.86 JAK2 (0.62) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL30273439 0.86 JAK2 (0.62) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL18893911 0.86 JAK2 (0.74) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL18894024 0.86 IRAK4 (0.52) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31039847 0.86 IRAK4 (0.52) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL22801365 0.86 IRAK4 (0.64) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL18893912 0.85 IRAK4 (0.54) JAK2JAK1TYK2JAK3LRRK2

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-3630766-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-04-08 — — EP disclosed
WO-2018215389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-11-29 — — WO disclosed