SCHEMBL21870715

SCHEMBL21870715

CCC(C(=O)Nc1nccc2c(-c3nc(Nc4cccc(SC)c4F)ncc3C)c[nH]c12)N1CCN(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.70
▸ JAK1 P23458 13/20 0.70
▸ KCNH2 Q12809 1/20 0.61

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
SCHEMBL23678568 0.94 JAK1 (0.70) JAK2JAK1
SCHEMBL23678576 0.93 JAK2 (0.61) JAK2JAK1KCNH2
SCHEMBL23678678 0.90 JAK1 (0.61) JAK2JAK1
SCHEMBL21870760 0.90 JAK2 (0.79) JAK2JAK1
SCHEMBL21871381 0.90 JAK1 (0.88) JAK2JAK1
SCHEMBL21870714 0.90 JAK1 (0.88) JAK2JAK1
SCHEMBL21870787 0.90 JAK1 (0.88) JAK2JAK1
SCHEMBL21870717 0.90 JAK2 (0.75) JAK2JAK1
SCHEMBL24065872 0.87 JAK1 (0.88) JAK2JAK1
SCHEMBL23678717 0.86 JAK1 (0.61) JAK2JAK1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854793-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-07-28 — — EP disclosed
WO-2020057669-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY 上海轶诺药业有限公司 2020-03-26 — — WO disclosed
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