SCHEMBL28695877

SCHEMBL28695877

C[Si](C)(C)CCOCn1ncc(NC(=O)c2cnn3ccc(Cl)nc23)c1-c1cc(Cl)ccc1OC(F)F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.55
JAK1 P23458 19/20 0.55
TYK2 P29597 4/20 0.55
JAK3 P52333 4/20 0.55
LRRK2 Q5S007 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.49

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
SCHEMBL29488719 1.00 JAK2 (0.55) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29488743 0.93 JAK2 (0.56) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL28695876 0.93 JAK2 (0.56) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL22801365 0.90 IRAK4 (0.64) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL23495087 0.87 JAK2 (0.62) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL30273461 0.82 JAK2 (0.58) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL20560479 0.82 JAK2 (0.58) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL20560911 0.82 JAK2 (0.62) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL23495050 0.82 JAK2 (0.61) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL30273439 0.82 JAK2 (0.62) 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
CN-109970743-B 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds as JAK inhibitors 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed