SCHEMBL23678796

SCHEMBL23678796

CCC(C(=O)Nc1nccc2c(-c3nc(Nc4cn(C)nc4OC)ncc3Br)c[nH]c12)N1CCN(C)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 16/20 0.72
▸ JAK2 O60674 13/20 0.72
▸ JAK3 P52333 2/20 0.72
▸ KCNH2 Q12809 2/20 0.72

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
SCHEMBL21870786 0.93 JAK1 (0.84) JAK1JAK2JAK3KCNH2
SCHEMBL21870796 0.93 JAK1 (0.84) JAK1JAK2JAK3KCNH2
SCHEMBL30810073 0.93 JAK1 (0.84) JAK1JAK2JAK3KCNH2
SCHEMBL23678797 0.93 JAK1 (0.73) JAK1JAK2JAK3KCNH2
SCHEMBL30810106 0.93 JAK1 (0.84) JAK1JAK2JAK3KCNH2
SCHEMBL21870731 0.93 JAK1 (0.84) JAK1JAK2JAK3KCNH2
SCHEMBL21870682 0.92 JAK1 (0.84) JAK1JAK2
SCHEMBL21870693 0.90 JAK1 (0.71) JAK1JAK2JAK3KCNH2
SCHEMBL23678795 0.89 JAK1 (0.83) JAK1JAK2JAK3
SCHEMBL21870691 0.89 JAK1 (0.77) JAK1JAK2

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
EP-3854793-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-07-28 — — EP disclosed
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