SCHEMBL29648482

SCHEMBL29648482

C[Si](C)(C)CCOCn1ncc(NC(=O)c2cncc3sc(N)nc23)c1-c1cc(Cl)ccc1OC(F)F

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.61
JAK1 P23458 20/20 0.61
TYK2 P29597 6/20 0.45
JAK3 P52333 6/20 0.45
LRRK2 Q5S007 2/20 0.41

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
SCHEMBL23495066 1.00 JAK2 (0.61) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29654154 0.92 JAK2 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL23495070 0.92 JAK2 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL23495092 0.91 JAK2 (0.51) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL23495059 0.88 JAK2 (0.60) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL23495050 0.84 JAK2 (0.61) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL23495076 0.82 JAK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL29488743 0.81 JAK2 (0.56) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL28695876 0.81 JAK2 (0.56) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL28695877 0.80 JAK2 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed