SCHEMBL29488712

SCHEMBL29488712

O=C(Nc1sc(C#CCO)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.85
▸ JAK1 P23458 20/20 0.85
▸ TYK2 P29597 1/20 0.65
▸ JAK3 P52333 1/20 0.65
▸ LRRK2 Q5S007 1/20 0.65

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
SCHEMBL18673226 0.93 JAK2 (0.84) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL17271796 0.92 JAK2 (1.00) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL17271559 0.87 JAK2 (1.00) JAK2JAK1
SCHEMBL17282286 0.87 JAK2 (0.79) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL17272263 0.84 JAK2 (1.00) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL17271752 0.82 JAK2 (1.00) JAK2JAK1
SCHEMBL29488757 0.82 JAK2 (0.85) JAK2JAK1
SCHEMBL17271566 0.81 JAK2 (1.00) JAK2JAK1
SCHEMBL17271606 0.81 JAK2 (1.00) JAK2JAK1
SCHEMBL17271469 0.80 JAK2 (1.00) JAK2JAK1

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
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