SCHEMBL29488757

SCHEMBL29488757

O=C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.85
▸ JAK1 P23458 20/20 0.85

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
SCHEMBL17271566 0.92 JAK2 (1.00) JAK2JAK1
SCHEMBL17271573 0.89 JAK2 (1.00) JAK2JAK1
SCHEMBL17272295 0.89 JAK2 (1.00) JAK2JAK1
SCHEMBL17271469 0.89 JAK2 (1.00) JAK2JAK1
SCHEMBL17271842 0.88 JAK2 (1.00) JAK2JAK1
SCHEMBL17271799 0.88 JAK2 (1.00) JAK2JAK1
SCHEMBL17271904 0.88 JAK2 (1.00) JAK2JAK1
SCHEMBL17271567 0.87 JAK2 (1.00) JAK2JAK1
SCHEMBL17272108 0.87 JAK2 (1.00) JAK2JAK1
SCHEMBL17282286 0.86 JAK2 (0.79) 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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