SCHEMBL29654154

SCHEMBL29654154

COc1ccc(Cl)cc1-c1c(NC(=O)c2cncc3sc(N)nc23)cnn1COCC[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.49
JAK1 P23458 10/20 0.49
TYK2 P29597 7/20 0.45
JAK3 P52333 7/20 0.45
SCN10A Q9Y5Y9 1/20 0.39
IRAK4 Q9NWZ3 9/20 0.38
SYK P43405 1/20 0.38
IRAK1 P51617 1/20 0.38

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
SCHEMBL23495070 1.00 JAK2 (0.49) JAK2JAK1TYK2JAK3SCN10A
SCHEMBL29648482 0.92 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL23495066 0.92 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL23495076 0.90 JAK2 (0.44) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL23495071 0.87 JAK2 (0.49) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL23495092 0.82 JAK2 (0.51) JAK2JAK1TYK2JAK3
SCHEMBL23495059 0.79 JAK2 (0.60) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL941554 0.76 JAK2 (0.76) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL23495050 0.75 JAK2 (0.61) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL23495079 0.73 ALDH1A1 (0.40) JAK2JAK1TYK2JAK3SCN10A

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
CN-110494434-B Pyrazolophenyl compounds, compositions thereof, and methods of use thereof 豪夫迈·罗氏有限公司 2022-05-24 CN disclosed